2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid

C7H12N2O4 — CID 92860822

IUPAC2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C7H12N2O4/c10-4-1-5(8-2-4)7(13)9-3-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4-,5-/m0/s1
InChIKeyWFDSWNXTPKLLOT-WHFBIAKZSA-N
MW188.18 g/mol
LogP-2.09
Rot. Bonds3

About 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid

2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid (PubChem CID 92860822) has the molecular formula C7H12N2O4 and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
PubChem CID92860822
Molecular FormulaC7H12N2O4
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)[C@@H]1C[C@H](O)CN1
InChIInChI=1S/C7H12N2O4/c10-4-1-5(8-2-4)7(13)9-3-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4-,5-/m0/s1
InChIKeyWFDSWNXTPKLLOT-WHFBIAKZSA-N
XLogP-2.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic 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

N-(2-bromoprop-2-enyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119755043
N-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43310992
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534
4-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrrolidine-2-carboxamide
CID 43515171
2-[[(2S)-1-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
CID 101267436
(2R,4R)-N-(2-aminoethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 130652446
N-(azetidin-3-ylmethyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 131159808
N-[2-(cyclopropanecarbonylamino)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 115738030
(2S,4R)-N-benzyl-4-hydroxypyrrolidine-2-carboxamide
CID 15482052
4-hydroxy-N-[(1-methylcyclobutyl)methyl]pyrrolidine-2-carboxamide
CID 103812334
2-[[(2S)-6-amino-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]hexanoyl]amino]acetic acid
CID 175696816
6-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65285883

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid (CID 92860822) is 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)[C@@H]1C[C@H](O)CN1.
What is the InChIKey of 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid?
The InChIKey is WFDSWNXTPKLLOT-WHFBIAKZSA-N. The full InChI is InChI=1S/C7H12N2O4/c10-4-1-5(8-2-4)7(13)9-3-6(11)12/h4-5,8,10H,1-3H2,(H,9,13)(H,11,12)/t4-,5-/m0/s1.
What are the key properties of 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid?
2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid has a molecular weight of 188.18 g/mol, XLogP of -2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,4S)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 92860822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).