(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID
68638874
Structure
Molecular Formula
Synonyms
SCHEMBL3428913
Molecular Weight
293.32 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Component Compounds
Dates
- Create:2012-11-30
- Modify:2025-01-11
Chemical Structure Depiction
Conformer generation is disallowed since mixture or salt
SVG Image
IUPAC Condensed
H-Ala-OH.H-Ala-OH.H-Pro-OH
PLN
H-A-OH.H-A-OH.H-P-OH
HELM
PEPTIDE1{A}|PEPTIDE2{A}|PEPTIDE3{P}$$$$
IUPAC
L-alanine compound with L-alanine compound with L-proline
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C5H9NO2.2C3H7NO2/c7-5(8)4-2-1-3-6-4;2*1-2(4)3(5)6/h4,6H,1-3H2,(H,7,8);2*2H,4H2,1H3,(H,5,6)/t4-;2*2-/m000/s1
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
HAALMSPCHFKGAV-NYWHIHTDSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
C[C@@H](C(=O)O)N.C[C@@H](C(=O)O)N.C1C[C@H](NC1)C(=O)O
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C11H23N3O6
Computed by PubChem 2.1 (PubChem release 2019.06.18)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
293.32 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
6
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
9
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
293.15868546 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
293.15868546 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
176 Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
20
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
164
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
3
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
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
CONTENTS