2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid

C12H19NO2 — CID 25157410

IUPAC2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid
SMILESCC[C@H]1CC(C#N)(CC(=O)O)C[C@@H]1CC
InChIInChI=1S/C12H19NO2/c1-3-9-5-12(8-13,7-11(14)15)6-10(9)4-2/h9-10H,3-7H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyRGKHDLCRBXCPMM-UWVGGRQHSA-N
MW209.29 g/mol
LogP2.82
Rot. Bonds4

About 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid

2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid (PubChem CID 25157410) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid
PubChem CID25157410
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid
SMILESCC[C@H]1CC(C#N)(CC(=O)O)C[C@@H]1CC
InChIInChI=1S/C12H19NO2/c1-3-9-5-12(8-13,7-11(14)15)6-10(9)4-2/h9-10H,3-7H2,1-2H3,(H,14,15)/t9-,10-/m0/s1
InChIKeyRGKHDLCRBXCPMM-UWVGGRQHSA-N
XLogP2.82
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid?
The IUPAC name of 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid (CID 25157410) is 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid.
What is the SMILES notation for 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid?
The canonical SMILES for 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid is CC[C@H]1CC(C#N)(CC(=O)O)C[C@@H]1CC.
What is the InChIKey of 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid?
The InChIKey is RGKHDLCRBXCPMM-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-9-5-12(8-13,7-11(14)15)6-10(9)4-2/h9-10H,3-7H2,1-2H3,(H,14,15)/t9-,10-/m0/s1.
What are the key properties of 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid?
2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid has a molecular weight of 209.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4S)-1-cyano-3,4-diethylcyclopentyl]acetic acid is sourced from PubChem (CID 25157410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).