L-Proline beta-naphthylamide hydrochloride
PubChem CID
16218571
Structure
Molecular Formula
Synonyms
- 97216-16-5
- L-Proline beta-naphthylamide hydrochloride
- 169553-07-5
- L-Proline-2-naphthylamide hydrochloride
- (2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;hydrochloride
Molecular Weight
276.76 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Parent Compound
Component Compounds
Dates
- Create:2007-07-16
- Modify:2025-01-18
See also: L-Proline B-naphthylamide hydrochloride (annotation moved to).
Chemical Structure Depiction
3D Conformer of Parent
SVG Image
IUPAC Condensed
H-Pro-NA.HCl
Sequence
P
(2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;hydrochloride
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C15H16N2O.ClH/c18-15(14-6-3-9-16-14)17-13-8-7-11-4-1-2-5-12(11)10-13;/h1-2,4-5,7-8,10,14,16H,3,6,9H2,(H,17,18);1H/t14-;/m0./s1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
UKXYCTFKKXKIPY-UQKRIMTDSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1C[C@H](NC1)C(=O)NC2=CC3=CC=CC=C3C=C2.Cl
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C15H17ClN2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
97216-16-5
- 97216-16-5
- L-Proline beta-naphthylamide hydrochloride
- 169553-07-5
- L-Proline-2-naphthylamide hydrochloride
- (2S)-N-naphthalen-2-ylpyrrolidine-2-carboxamide;hydrochloride
- 2-Pyrrolidinecarboxamide,N-2-naphthalenyl-, hydrochloride (1:1)
- (2S)-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide hydrochloride
- H-Pro-bNA HCl
- H-Pro-NA HCl
- L-Proline |A-naphthylamide hydrochloride
- DTXSID20584973
- MFCD00038937
- AKOS024307515
- L-Proline 2-naphthylamide hydrochloride
- AS-71666
- L-Proline beta -naphthylamide hydrochloride
- P-7500
- L-Proline beta-naphthylamide hydrochloride, >=99%
- N-Naphthalen-2-yl-L-prolinamide--hydrogen chloride (1/1)
- (S)-N-(naphthalen-2-yl)pyrrolidine-2-carboxamide hydrochloride
- 2-Pyrrolidinecarboxamide,N-2-naphthalenyl-,hydrochloride(1:1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
276.76 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
276.1029409 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
276.1029409 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
41.1 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
19
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
305
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
2
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
Instrument Name
Bio-Rad FTS
Technique
ATR-Neat (DuraSamplIR II)
Source of Spectrum
Forensic Spectral Research
Source of Sample
Sigma-Aldrich Company Llc
Catalog Number
<a href=https://www.sigmaaldrich.com/US/en/product/sigma/P1380>P1380</a>
Lot Number
88F0611
Copyright
Copyright © 2014-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Same Connectivity Count
Same Parent, Connectivity Count
Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
L-Proline B-naphthylamide hydrochloride (annotation moved to)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=UKXYCTFKKXKIPY-UQKRIMTDSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-Pyrrolidinecarboxamide, N-2-naphthalenyl-, hydrochloride (1:1), (2S)-https://commonchemistry.cas.org/detail?cas_rn=169553-07-5
- EPA DSSToxN-Naphthalen-2-yl-L-prolinamide--hydrogen chloride (1/1)https://comptox.epa.gov/dashboard/DTXSID20584973CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- SpectraBaseL-Proline β-naphthylamide hydrochloridehttps://spectrabase.com/spectrum/IiIld1zL0kpL-Proline β-naphthylamide hydrochloridehttps://spectrabase.com/spectrum/JFDULspEslUL-Proline Ã-naphthylamide HClhttps://spectrabase.com/spectrum/1v26HdVCQcm
- WikidataN-Naphthalen-2-yl-L-prolinamide--hydrogen chloride (1/1)https://www.wikidata.org/wiki/Q82476746
- PubChem
- GHS Classification (UNECE)GHS Classification Treehttp://www.unece.org/trans/danger/publi/ghs/ghs_welcome_e.html
- PATENTSCOPE (WIPO)SID 387827061https://pubchem.ncbi.nlm.nih.gov/substance/387827061
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