2-hydroxy-4-pyrrolidin-2-ylbutanoic acid

C8H15NO3 — CID 175441511

IUPAC2-hydroxy-4-pyrrolidin-2-ylbutanoic acid
SMILESO=C(O)C(O)CCC1CCCN1
InChIInChI=1S/C8H15NO3/c10-7(8(11)12)4-3-6-2-1-5-9-6/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyKFAIYUBBEIYJHC-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.04
Rot. Bonds4

About 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid

2-hydroxy-4-pyrrolidin-2-ylbutanoic acid (PubChem CID 175441511) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-pyrrolidin-2-ylbutanoic acid
PubChem CID175441511
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-hydroxy-4-pyrrolidin-2-ylbutanoic acid
SMILESO=C(O)C(O)CCC1CCCN1
InChIInChI=1S/C8H15NO3/c10-7(8(11)12)4-3-6-2-1-5-9-6/h6-7,9-10H,1-5H2,(H,11,12)
InChIKeyKFAIYUBBEIYJHC-UHFFFAOYSA-N
XLogP-0.04
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-hydroxy-4-pyrrolidin-2-ylbutanoic 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-[2-[(2R)-pyrrolidin-2-yl]ethyl]hexanoic acid
CID 142749292
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
4-pyrrolidin-2-ylbutan-2-ylphosphonic acid
CID 57191942
2-(3-pyrrolidin-2-ylpropanoylamino)propanoic acid
CID 90744178
1-amino-2-pyrrolidin-2-ylethanol
CID 155698617
3-(azepan-2-yl)propanoic acid
CID 69475849
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-pyrrolidin-2-ylpropane-1,2-diol
CID 67326252
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid?
The IUPAC name of 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid (CID 175441511) is 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid.
What is the SMILES notation for 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid?
The canonical SMILES for 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid is O=C(O)C(O)CCC1CCCN1.
What is the InChIKey of 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid?
The InChIKey is KFAIYUBBEIYJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-7(8(11)12)4-3-6-2-1-5-9-6/h6-7,9-10H,1-5H2,(H,11,12).
What are the key properties of 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid?
2-hydroxy-4-pyrrolidin-2-ylbutanoic acid has a molecular weight of 173.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-pyrrolidin-2-ylbutanoic acid is sourced from PubChem (CID 175441511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).