2-[(2R)-2-formylcyclopentyl]acetic acid

C8H12O3 — CID 130646280

IUPAC2-[(2R)-2-formylcyclopentyl]acetic acid
SMILESO=C[C@@H]1CCCC1CC(=O)O
InChIInChI=1S/C8H12O3/c9-5-7-3-1-2-6(7)4-8(10)11/h5-7H,1-4H2,(H,10,11)/t6?,7-/m0/s1
InChIKeyNWIFEVNOTWAFIW-MLWJPKLSSA-N
MW156.18 g/mol
LogP1.08
Rot. Bonds3

About 2-[(2R)-2-formylcyclopentyl]acetic acid

2-[(2R)-2-formylcyclopentyl]acetic acid (PubChem CID 130646280) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-[(2R)-2-formylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(2R)-2-formylcyclopentyl]acetic acid
PubChem CID130646280
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name2-[(2R)-2-formylcyclopentyl]acetic acid
SMILESO=C[C@@H]1CCCC1CC(=O)O
InChIInChI=1S/C8H12O3/c9-5-7-3-1-2-6(7)4-8(10)11/h5-7H,1-4H2,(H,10,11)/t6?,7-/m0/s1
InChIKeyNWIFEVNOTWAFIW-MLWJPKLSSA-N
XLogP1.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[(2R)-2-formylcyclopentyl]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

3-[2-(carboxymethyl)cyclohexyl]prop-2-enoic acid
CID 156690589
(E)-3-[2-(carboxymethyl)cyclohexyl]prop-2-enoic acid
CID 101169188
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
2-(hydroxymethyl)cyclohexane-1-carbaldehyde
CID 13194685
2-(hydroxymethyl)cyclododecane-1-carbaldehyde
CID 54076682
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
3-[2-(carboxymethyl)cyclopentyl]propanoic acid
CID 13359518
trans-(1R,2R)-2-butylcyclopentane-1-carbaldehyde
CID 131854449
2-[(1R,2S)-2-methylcyclohexyl]acetic acid
CID 41097348
2-[2-(3-hydroxy-4-thiophen-2-ylbut-1-enyl)cyclopentyl]acetic acid
CID 57210171
2-[(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]acetic acid
CID 124676375
2-formylcyclopentane-1-sulfonic acid
CID 175442125

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-formylcyclopentyl]acetic acid?
The IUPAC name of 2-[(2R)-2-formylcyclopentyl]acetic acid (CID 130646280) is 2-[(2R)-2-formylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(2R)-2-formylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(2R)-2-formylcyclopentyl]acetic acid is O=C[C@@H]1CCCC1CC(=O)O.
What is the InChIKey of 2-[(2R)-2-formylcyclopentyl]acetic acid?
The InChIKey is NWIFEVNOTWAFIW-MLWJPKLSSA-N. The full InChI is InChI=1S/C8H12O3/c9-5-7-3-1-2-6(7)4-8(10)11/h5-7H,1-4H2,(H,10,11)/t6?,7-/m0/s1.
What are the key properties of 2-[(2R)-2-formylcyclopentyl]acetic acid?
2-[(2R)-2-formylcyclopentyl]acetic acid has a molecular weight of 156.18 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-formylcyclopentyl]acetic acid is sourced from PubChem (CID 130646280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).