2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid

C9H17NO3 — CID 83817695

IUPAC2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
SMILESCN(CCO)C1CCCC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-10(5-6-11)8-4-2-3-7(8)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyNNOGDGDLBLDXHF-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.16
Rot. Bonds4

About 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid

2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 83817695) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
PubChem CID83817695
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid
SMILESCN(CCO)C1CCCC1C(=O)O
InChIInChI=1S/C9H17NO3/c1-10(5-6-11)8-4-2-3-7(8)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13)
InChIKeyNNOGDGDLBLDXHF-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-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 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid (CID 83817695) is 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid is CN(CCO)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is NNOGDGDLBLDXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-10(5-6-11)8-4-2-3-7(8)9(12)13/h7-8,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid?
2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(methyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83817695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).