cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid

C14H23NO4 — CID 114092767

IUPACcis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NOC2CCCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-2-9-7-11(12(8-9)14(17)18)13(16)15-19-10-5-3-4-6-10/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,11-,12+/m0/s1
InChIKeyQIGHSFUXLNHDQY-CLGJWYQZSA-N
MW269.34 g/mol
LogP2.11
Rot. Bonds5

About cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid

cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114092767) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114092767
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namecis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)NOC2CCCC2)[C@H](C(=O)O)C1
InChIInChI=1S/C14H23NO4/c1-2-9-7-11(12(8-9)14(17)18)13(16)15-19-10-5-3-4-6-10/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,11-,12+/m0/s1
InChIKeyQIGHSFUXLNHDQY-CLGJWYQZSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-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

Related Compounds

cis-(1R,2S)-2-(3-cyclopentylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 106003697
N-cyclobutyloxy-2-methylcyclopropane-1-carboxamide
CID 130676328
4-ethyl-2-[(4-methylcyclohexyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114511796
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 107846690
4-ethyl-2-[(2-methylcyclopentyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 107416699
cis-(1R,2S)-4-ethyl-2-[(1-methylcyclopentyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092072
cis-(1R,2S)-2-(2,2-dimethylbutylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114093178
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
2-(2-ethoxyethylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511477
2-[(2,3-dimethylcyclopentyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511889
2-(3-cyclopropylpropylcarbamoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512158

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid (CID 114092767) is cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)NOC2CCCC2)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is QIGHSFUXLNHDQY-CLGJWYQZSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-9-7-11(12(8-9)14(17)18)13(16)15-19-10-5-3-4-6-10/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)/t9?,11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid?
cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(cyclopentyloxycarbamoyl)-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114092767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).