3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid

C14H18N2O3 — CID 61157848

IUPAC3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
SMILESNC1(C(=O)Nc2cccc(C(=O)O)c2)CCCCC1
InChIInChI=1S/C14H18N2O3/c15-14(7-2-1-3-8-14)13(19)16-11-6-4-5-10(9-11)12(17)18/h4-6,9H,1-3,7-8,15H2,(H,16,19)(H,17,18)
InChIKeyMBHNRVPVSWDGRR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.98
Rot. Bonds3

About 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid

3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid (PubChem CID 61157848) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
PubChem CID61157848
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid
SMILESNC1(C(=O)Nc2cccc(C(=O)O)c2)CCCCC1
InChIInChI=1S/C14H18N2O3/c15-14(7-2-1-3-8-14)13(19)16-11-6-4-5-10(9-11)12(17)18/h4-6,9H,1-3,7-8,15H2,(H,16,19)(H,17,18)
InChIKeyMBHNRVPVSWDGRR-UHFFFAOYSA-N
XLogP1.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[3-(piperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide
CID 119298519
3-[(1-aminocyclohexanecarbonyl)amino]-N-methyl-N-phenylbenzamide
CID 119284412
3-[(1-aminocyclohexanecarbonyl)amino]-N,N-diethylbenzamide
CID 119269068
3-[(1-aminocyclohexanecarbonyl)amino]-N-(2-amino-2-oxoethyl)benzamide
CID 119284430
1-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119283258
3-[(1-aminocyclobutanecarbonyl)amino]-N-methylbenzamide
CID 81172976
3-[(1-aminocyclohexanecarbonyl)amino]-N-propylbenzamide
CID 119283135
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
1-amino-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 60854804
1-amino-N-[3-(phenylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 119283953
1-amino-N-[3-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 60867410
N-[3-[(1-aminocyclohexanecarbonyl)amino]phenyl]furan-3-carboxamide
CID 119310902

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid?
The IUPAC name of 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid (CID 61157848) is 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid?
The canonical SMILES for 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid is NC1(C(=O)Nc2cccc(C(=O)O)c2)CCCCC1.
What is the InChIKey of 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid?
The InChIKey is MBHNRVPVSWDGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c15-14(7-2-1-3-8-14)13(19)16-11-6-4-5-10(9-11)12(17)18/h4-6,9H,1-3,7-8,15H2,(H,16,19)(H,17,18).
What are the key properties of 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid?
3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclohexanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 61157848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).