3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18N2O4 — CID 63044355

IUPAC3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18N2O4/c16-13(18)9-3-1-4-10(7-9)14(19)17-12-6-2-5-11(8-12)15(20)21/h1,3-4,7,11-12H,2,5-6,8H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyVRTJLBVEUQTISW-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.16
Rot. Bonds4

About 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid

3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 63044355) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID63044355
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)NC2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C15H18N2O4/c16-13(18)9-3-1-4-10(7-9)14(19)17-12-6-2-5-11(8-12)15(20)21/h1,3-4,7,11-12H,2,5-6,8H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyVRTJLBVEUQTISW-UHFFFAOYSA-N
XLogP1.16
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
3-[(3-aminobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043138
3-[(3-bromobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043451
2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64814585
3-(2,3-dihydro-1H-indene-5-carbonylamino)cyclohexane-1-carboxylic acid
CID 63043266
3-[(3-amino-4-chlorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63042958
cis-(1R,3S)-3-[(3-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320931
3-carbamothioyl-N-cyclopentylbenzamide
CID 24691849
cis-(1R,3S)-3-[(3-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320533
cis-(1R,3S)-3-[(3-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106320365
3-[(3,5-difluorobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044539
cis-(1S,3R)-3-[(3-pyrrol-1-ylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675705

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 63044355) is 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid is NC(=O)c1cccc(C(=O)NC2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VRTJLBVEUQTISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-13(18)9-3-1-4-10(7-9)14(19)17-12-6-2-5-11(8-12)15(20)21/h1,3-4,7,11-12H,2,5-6,8H2,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63044355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).