2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

C12H25N3O8 — CID 174461355

IUPAC2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(O)C(N)C(=O)O.NC(CO)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C4H9NO3.C3H7NO3/c7-5(8)4-2-1-3-6-4;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h4,6H,1-3H2,(H,7,8);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t4-;;/m0../s1
InChIKeyOEJBCTWVQROVRA-FHNDMYTFSA-N
MW339.35 g/mol
LogP-3.01
Rot. Bonds5

About 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid

2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 174461355) has the molecular formula C12H25N3O8 and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID174461355
Molecular FormulaC12H25N3O8
Molecular Weight339.35 g/mol
Exact Mass339.16
IUPAC Name2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESCC(O)C(N)C(=O)O.NC(CO)C(=O)O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.C4H9NO3.C3H7NO3/c7-5(8)4-2-1-3-6-4;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h4,6H,1-3H2,(H,7,8);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t4-;;/m0../s1
InChIKeyOEJBCTWVQROVRA-FHNDMYTFSA-N
XLogP-3.01
TPSA216.43 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 5-3.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2,4-diamino-4-oxobutanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 175277305
(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-amino-4-methylpentanoic acid;bis((2S)-pyrrolidine-2-carboxylic acid)
CID 70209240
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2,6-diaminohexanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20751279
2-aminoacetic acid;2-aminobutanedioic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174419175
(2S)-2-amino-3-[(2S,3R)-2-amino-3-hydroxybutanoyl]oxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 67631143
2-aminoacetic acid;2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;2,4-diamino-4-oxobutanoic acid;2,5-diamino-5-oxopentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174852664
2-amino-3-methylbutanoic acid;pyrrolidine-2-carboxylic acid
CID 22457430
(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66790467
(2S)-2-aminopropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 22825802
2-amino-3-methylbutanoic acid;2-aminopentanedioic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174509456
tris(2-aminoacetic acid);(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 23551207
propane-1,2,3-triol;(2S)-pyrrolidine-2-carboxylic acid;hydrate
CID 86711776

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 174461355) is 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is CC(O)C(N)C(=O)O.NC(CO)C(=O)O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is OEJBCTWVQROVRA-FHNDMYTFSA-N. The full InChI is InChI=1S/C5H9NO2.C4H9NO3.C3H7NO3/c7-5(8)4-2-1-3-6-4;1-2(6)3(5)4(7)8;4-2(1-5)3(6)7/h4,6H,1-3H2,(H,7,8);2-3,6H,5H2,1H3,(H,7,8);2,5H,1,4H2,(H,6,7)/t4-;;/m0../s1.
What are the key properties of 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid?
2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of -3.01, 5 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;2-amino-3-hydroxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174461355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).