Phenyl morpholine-4-carboxylate
PubChem CID
318911
Structure
Molecular Formula
Synonyms
- phenyl morpholine-4-carboxylate
- 69630-20-2
- N-PHENOXYCARBONYLMORPHOLINE
- MFCD00591656
- DTXSID60312631
Molecular Weight
207.23 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2005-03-26
- Modify:2025-01-11
Chemical Structure Depiction
phenyl morpholine-4-carboxylate
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C11H13NO3/c13-11(12-6-8-14-9-7-12)15-10-4-2-1-3-5-10/h1-5H,6-9H2
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
SVWBBVZRYSQHPF-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
C1COCCN1C(=O)OC2=CC=CC=C2
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H13NO3
Computed by PubChem 2.2 (PubChem release 2021.10.14)
69630-20-2
- phenyl morpholine-4-carboxylate
- 69630-20-2
- N-PHENOXYCARBONYLMORPHOLINE
- MFCD00591656
- DTXSID60312631
- NSC259715
- MLS001183951
- phenylmorpholine-4-carboxylate
- SCHEMBL5101418
- CHEMBL1332736
- DTXCID60263755
- SVWBBVZRYSQHPF-UHFFFAOYSA-N
- HMS2842H13
- STK091688
- AKOS005394844
- NSC-259715
- Mopholine-4-carboxylic acid phenyl ester
- SMR000502687
- SY213549
- DB-123116
- CS-0243420
- EN300-263431
- F70918
- SR-01000414916
- SR-01000414916-1
- Z31721808
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
207.23 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
1.3
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
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
207.08954328 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
207.08954328 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
38.8 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
15
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
208
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
0
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
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
>31.1 [ug/mL] (The mean of the results at pH 7.4)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=SVWBBVZRYSQHPF-UHFFFAOYSA-N
- Burnham Center for Chemical Genomics
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- DTP/NCILICENSEUnless otherwise indicated, all text within NCI products is free of copyright and may be reused without our permission. Credit the National Cancer Institute as the source.https://www.cancer.gov/policies/copyright-reuse
- EPA DSSToxphenyl morpholine-4-carboxylatehttps://comptox.epa.gov/dashboard/DTXSID60312631CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- Japan Chemical Substance Dictionary (Nikkaji)
- Thieme ChemistryLICENSEThe Thieme Chemistry contribution within PubChem is provided under a CC-BY-NC-ND 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc-nd/4.0/
- Wikidataphenyl morpholine-4-carboxylatehttps://www.wikidata.org/wiki/Q82063279
- PubChem
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403405105https://pubchem.ncbi.nlm.nih.gov/substance/403405105
CONTENTS