1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid

C11H19NO3 — CID 63721763

IUPAC1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CCCC2O)CC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-7-5-12(6-8(7)11(14)15)9-3-2-4-10(9)13/h7-10,13H,2-6H2,1H3,(H,14,15)
InChIKeyNIHOKCSKBNZLSH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.55
Rot. Bonds2

About 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721763) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721763
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CCCC2O)CC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-7-5-12(6-8(7)11(14)15)9-3-2-4-10(9)13/h7-10,13H,2-6H2,1H3,(H,14,15)
InChIKeyNIHOKCSKBNZLSH-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-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

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721763) is 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C2CCCC2O)CC1C(=O)O.
What is the InChIKey of 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is NIHOKCSKBNZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7-5-12(6-8(7)11(14)15)9-3-2-4-10(9)13/h7-10,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclopentyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).