(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C14H21NO4 — CID 104962368

IUPAC(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O
InChIInChI=1S/C14H21NO4/c1-19-12-8-4-7-11(12)15-13(16)9-5-2-3-6-10(9)14(17)18/h2-3,9-12H,4-8H2,1H3,(H,15,16)(H,17,18)/t9-,10+,11?,12?/m1/s1
InChIKeyOFVZPEIHGDUFLA-QKEWWQLBSA-N
MW267.32 g/mol
LogP1.34
Rot. Bonds4

About (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 104962368) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID104962368
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCOC1CCCC1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O
InChIInChI=1S/C14H21NO4/c1-19-12-8-4-7-11(12)15-13(16)9-5-2-3-6-10(9)14(17)18/h2-3,9-12H,4-8H2,1H3,(H,15,16)(H,17,18)/t9-,10+,11?,12?/m1/s1
InChIKeyOFVZPEIHGDUFLA-QKEWWQLBSA-N
XLogP1.34
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-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

(1S,6R)-6-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 11894945
2-[(2-methoxycyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64817335
3-amino-N-(2-methoxycyclopentyl)-2-methylcyclohexane-1-carboxamide
CID 62782214
2-amino-N-(2-methoxycyclopentyl)-3-methylcyclohexane-1-carboxamide
CID 62782215
(1S,6S)-6-[(4-methylcyclohexyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51427698
(1S,6R)-6-[(3-methoxycyclobutyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114118848
(1S,6R)-6-(cyclopropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 40569411
4-[(2-methoxycyclopentyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238773
4-amino-N-(2-methoxycyclopentyl)cyclohexane-1-carboxamide
CID 62088774
(1S,6R)-6-[[(1S,2S)-2-methylcyclohexyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 11894940
(1S,6R)-6-(2-bicyclo[2.2.1]heptanylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962479
N-(2-methoxycyclopentyl)-5-methylpiperazine-2-carboxamide
CID 63103670

Frequently Asked Questions

What is the IUPAC name of (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 104962368) is (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is COC1CCCC1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O.
What is the InChIKey of (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is OFVZPEIHGDUFLA-QKEWWQLBSA-N. The full InChI is InChI=1S/C14H21NO4/c1-19-12-8-4-7-11(12)15-13(16)9-5-2-3-6-10(9)14(17)18/h2-3,9-12H,4-8H2,1H3,(H,15,16)(H,17,18)/t9-,10+,11?,12?/m1/s1.
What are the key properties of (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
(1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-6-[(2-methoxycyclopentyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 104962368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).