2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid

C12H19NO4 — CID 168661742

IUPAC2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCC1)N1CC(CO)CC1=O
InChIInChI=1S/C12H19NO4/c14-7-8-5-10(15)13(6-8)11(12(16)17)9-3-1-2-4-9/h8-9,11,14H,1-7H2,(H,16,17)
InChIKeyXSGLVINYXFXKAX-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.47
Rot. Bonds4

About 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid

2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid (PubChem CID 168661742) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
PubChem CID168661742
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
SMILESO=C(O)C(C1CCCC1)N1CC(CO)CC1=O
InChIInChI=1S/C12H19NO4/c14-7-8-5-10(15)13(6-8)11(12(16)17)9-3-1-2-4-9/h8-9,11,14H,1-7H2,(H,16,17)
InChIKeyXSGLVINYXFXKAX-UHFFFAOYSA-N
XLogP0.47
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]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

2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-cyclopentylacetic acid
CID 168506710
2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
CID 168695813
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pentanoic acid
CID 168661652
(2S,3R)-2-hydroxy-3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-4-phenylbutanoic acid
CID 168661551
1-(1,1-difluoropropan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 130979524
1-(3,3-dimethylbutan-2-yl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 104830094
(2S)-5-ethoxy-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-5-oxopentanoic acid
CID 168661674
2-(2-fluorophenyl)-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661735
(2R)-2-cyclohexa-1,4-dien-1-yl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661817
2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
CID 61015441

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid (CID 168661742) is 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid is O=C(O)C(C1CCCC1)N1CC(CO)CC1=O.
What is the InChIKey of 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid?
The InChIKey is XSGLVINYXFXKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c14-7-8-5-10(15)13(6-8)11(12(16)17)9-3-1-2-4-9/h8-9,11,14H,1-7H2,(H,16,17).
What are the key properties of 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid?
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid has a molecular weight of 241.29 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 168661742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).