4-amino-2-(cyclohexylcarbamoylamino)benzoic acid

C14H19N3O3 — CID 63116079

IUPAC4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H19N3O3/c15-9-6-7-11(13(18)19)12(8-9)17-14(20)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,18,19)(H2,16,17,20)
InChIKeyWZLRDLPTIOOWSN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.42
Rot. Bonds3

About 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid

4-amino-2-(cyclohexylcarbamoylamino)benzoic acid (PubChem CID 63116079) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
PubChem CID63116079
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name4-amino-2-(cyclohexylcarbamoylamino)benzoic acid
SMILESNc1ccc(C(=O)O)c(NC(=O)NC2CCCCC2)c1
InChIInChI=1S/C14H19N3O3/c15-9-6-7-11(13(18)19)12(8-9)17-14(20)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,18,19)(H2,16,17,20)
InChIKeyWZLRDLPTIOOWSN-UHFFFAOYSA-N
XLogP2.42
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
4-amino-2-(cyclooctanecarbonylamino)benzoic acid
CID 65019508
1-(4-amino-2-bromophenyl)-3-cyclohexylurea
CID 43551414
3-(cyclohexylcarbamoylamino)naphthalene-2-carboxylic acid
CID 16777345
4-chloro-2-(cyclopropylcarbamoylamino)benzoic acid
CID 61187742
1-[5-amino-2-(4-methylpiperazin-1-yl)phenyl]-3-cyclopentylurea
CID 171547125
4-amino-2-(3-cyclopentylpropanoylamino)benzoic acid
CID 63116323
2-(cyclobutylcarbamoylamino)-5-hydroxybenzoic acid
CID 62416782
1-cyclohexyl-3-[2,5-dichloro-4-(cyclohexylcarbamoylamino)phenyl]urea
CID 4253311
2-(cyclopropylcarbamoylamino)-4-methoxybenzoic acid
CID 113304992
1-(3-aminophenyl)-3-cyclopentylurea
CID 29267368
1-(2-amino-4-chlorophenyl)-3-cyclohexylurea
CID 16771427

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid?
The IUPAC name of 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid (CID 63116079) is 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid.
What is the SMILES notation for 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid?
The canonical SMILES for 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid is Nc1ccc(C(=O)O)c(NC(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid?
The InChIKey is WZLRDLPTIOOWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-9-6-7-11(13(18)19)12(8-9)17-14(20)16-10-4-2-1-3-5-10/h6-8,10H,1-5,15H2,(H,18,19)(H2,16,17,20).
What are the key properties of 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid?
4-amino-2-(cyclohexylcarbamoylamino)benzoic acid has a molecular weight of 277.32 g/mol, XLogP of 2.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(cyclohexylcarbamoylamino)benzoic acid is sourced from PubChem (CID 63116079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).