2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid

C15H18N2O4 — CID 64814585

IUPAC2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c16-13(18)9-4-3-5-10(8-9)14(19)17-12-7-2-1-6-11(12)15(20)21/h3-5,8,11-12H,1-2,6-7H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyOSZCSTUPGDYFDN-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.16
Rot. Bonds4

About 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid

2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 64814585) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
PubChem CID64814585
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
SMILESNC(=O)c1cccc(C(=O)NC2CCCCC2C(=O)O)c1
InChIInChI=1S/C15H18N2O4/c16-13(18)9-4-3-5-10(8-9)14(19)17-12-7-2-1-6-11(12)15(20)21/h3-5,8,11-12H,1-2,6-7H2,(H2,16,18)(H,17,19)(H,20,21)
InChIKeyOSZCSTUPGDYFDN-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

2-[(3-iodobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813119
2-[(3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64812501
2-benzamidocyclopentane-1-carboxylic acid
CID 64812220
2-[(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 64813950
3-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63044355
cis-(1R,3S)-3-[(3-carbamoylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106320083
2-[[3-(dimethylamino)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 64814509
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(1H-indole-6-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712391
trans-(1S,2S)-2-[[3-(3-methoxypropoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 97324364
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428

Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid (CID 64814585) is 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid is NC(=O)c1cccc(C(=O)NC2CCCCC2C(=O)O)c1.
What is the InChIKey of 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is OSZCSTUPGDYFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c16-13(18)9-4-3-5-10(8-9)14(19)17-12-7-2-1-6-11(12)15(20)21/h3-5,8,11-12H,1-2,6-7H2,(H2,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid?
2-[(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 2-[(3-carbamoylbenzoyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 64814585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).