6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

C15H23NO4 — CID 60950820

IUPAC6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCN(CC1CCOC1)C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO4/c1-2-16(9-11-7-8-20-10-11)14(17)12-5-3-4-6-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyCJSBNXMFLRKBAP-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.54
Rot. Bonds5

About 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 60950820) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID60950820
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESCCN(CC1CCOC1)C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO4/c1-2-16(9-11-7-8-20-10-11)14(17)12-5-3-4-6-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19)
InChIKeyCJSBNXMFLRKBAP-UHFFFAOYSA-N
XLogP1.54
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[ethyl(oxolan-3-ylmethyl)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,6S)-6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 36690462
2-amino-N-ethyl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 114995328
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 95247590
(1S,6R)-6-(dibutylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 7030737
N-ethyl-2-naphthalen-1-yl-N-(oxolan-3-ylmethyl)cyclopropane-1-carboxamide
CID 71878161
trans-(1R,2R)-N-ethyl-2-naphthalen-1-yl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 124744499
6-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 55011704
(1S,6R)-6-[[2-(dimethylamino)-2-oxoethyl]-ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962048
N-ethyl-2-methyl-2-(methylamino)-N-(oxolan-3-ylmethyl)propanamide
CID 62845627
(3S)-N-ethyl-1,1-dioxo-N-[[(3R)-oxolan-3-yl]methyl]thiolane-3-carboxamide
CID 94174845
(2S)-2-amino-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61148831
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015

Frequently Asked Questions

What is the IUPAC name of 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 60950820) is 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is CCN(CC1CCOC1)C(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is CJSBNXMFLRKBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-2-16(9-11-7-8-20-10-11)14(17)12-5-3-4-6-13(12)15(18)19/h3-4,11-13H,2,5-10H2,1H3,(H,18,19).
What are the key properties of 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid?
6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[ethyl(oxolan-3-ylmethyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 60950820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).