4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid

C9H16N2O4 — CID 104901043

IUPAC4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
SMILESO=C(O)C(CCO)NC(=O)[C@H]1CCCN1
InChIInChI=1S/C9H16N2O4/c12-5-3-7(9(14)15)11-8(13)6-2-1-4-10-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6-,7?/m1/s1
InChIKeyLRYHISKVHNZFAP-ULUSZKPHSA-N
MW216.24 g/mol
LogP-1.31
Rot. Bonds5

About 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid

4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid (PubChem CID 104901043) has the molecular formula C9H16N2O4 and a molecular weight of 216.24 g/mol. Its IUPAC name is 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
PubChem CID104901043
Molecular FormulaC9H16N2O4
Molecular Weight216.24 g/mol
Exact Mass216.11
IUPAC Name4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid
SMILESO=C(O)C(CCO)NC(=O)[C@H]1CCCN1
InChIInChI=1S/C9H16N2O4/c12-5-3-7(9(14)15)11-8(13)6-2-1-4-10-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6-,7?/m1/s1
InChIKeyLRYHISKVHNZFAP-ULUSZKPHSA-N
XLogP-1.31
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic 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

(2R)-3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoic acid
CID 80751621
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
3-hydroxy-2-[[(2R)-piperidine-2-carbonyl]amino]propanoic acid
CID 104913543
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
2-[[(2S)-piperidine-2-carbonyl]amino]pentanoic acid
CID 103869509
(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid;hydrate
CID 71408310
(2S)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanedioic acid
CID 145457571
(2R)-4-amino-4-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 103870279
(2R)-5-amino-5-oxo-2-[[(2R)-piperidine-2-carbonyl]amino]pentanoic acid
CID 107830274
5-amino-2-[[3-hydroxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]-5-oxopentanoic acid
CID 18223693
2-[[3-carboxy-2-(pyrrolidine-2-carbonylamino)propanoyl]amino]butanedioic acid
CID 18223477
(3S)-4-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-4-oxo-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid
CID 145457422

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid (CID 104901043) is 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid is O=C(O)C(CCO)NC(=O)[C@H]1CCCN1.
What is the InChIKey of 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid?
The InChIKey is LRYHISKVHNZFAP-ULUSZKPHSA-N. The full InChI is InChI=1S/C9H16N2O4/c12-5-3-7(9(14)15)11-8(13)6-2-1-4-10-6/h6-7,10,12H,1-5H2,(H,11,13)(H,14,15)/t6-,7?/m1/s1.
What are the key properties of 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid?
4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid has a molecular weight of 216.24 g/mol, XLogP of -1.31, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[[(2R)-pyrrolidine-2-carbonyl]amino]butanoic acid is sourced from PubChem (CID 104901043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).