5-[(2-aminophenyl)carbamoylamino]hexanoic acid

C13H19N3O3 — CID 82848077

IUPAC5-[(2-aminophenyl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Nc1ccccc1N
InChIInChI=1S/C13H19N3O3/c1-9(5-4-8-12(17)18)15-13(19)16-11-7-3-2-6-10(11)14/h2-3,6-7,9H,4-5,8,14H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHIAPDDISLGXWGP-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.03
Rot. Bonds6

About 5-[(2-aminophenyl)carbamoylamino]hexanoic acid

5-[(2-aminophenyl)carbamoylamino]hexanoic acid (PubChem CID 82848077) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[(2-aminophenyl)carbamoylamino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-aminophenyl)carbamoylamino]hexanoic acid
PubChem CID82848077
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[(2-aminophenyl)carbamoylamino]hexanoic acid
SMILESCC(CCCC(=O)O)NC(=O)Nc1ccccc1N
InChIInChI=1S/C13H19N3O3/c1-9(5-4-8-12(17)18)15-13(19)16-11-7-3-2-6-10(11)14/h2-3,6-7,9H,4-5,8,14H2,1H3,(H,17,18)(H2,15,16,19)
InChIKeyHIAPDDISLGXWGP-UHFFFAOYSA-N
XLogP2.03
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[(2-aminophenyl)carbamoylamino]hexanoic 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

5-[[2-(methoxymethyl)phenyl]carbamoylamino]hexanoic acid
CID 82847223
5-[(3-bromo-2-methylphenyl)carbamoylamino]hexanoic acid
CID 107627437
6-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 61404398
5-[(4-chloro-2-iodophenyl)carbamoylamino]hexanoic acid
CID 107628473
5-[(2,6-dichlorophenyl)carbamoylamino]hexanoic acid
CID 82848270
5-[[(2R)-2-amino-2-phenylacetyl]amino]hexanoic acid
CID 82847398
5-[(2-amino-2-phenylacetyl)amino]hexanoic acid
CID 82845613
5-[(5-fluoro-2-methylphenyl)carbamoylamino]hexanoic acid
CID 82844997
5-[(4-propan-2-ylphenyl)carbamoylamino]hexanoic acid
CID 82847921
5-[(4-bromophenyl)carbamoylamino]hexanoic acid
CID 82846118
5-[(2-bromo-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 82845882
5-(2-phenylpropylcarbamoylamino)hexanoic acid
CID 104592008

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminophenyl)carbamoylamino]hexanoic acid?
The IUPAC name of 5-[(2-aminophenyl)carbamoylamino]hexanoic acid (CID 82848077) is 5-[(2-aminophenyl)carbamoylamino]hexanoic acid.
What is the SMILES notation for 5-[(2-aminophenyl)carbamoylamino]hexanoic acid?
The canonical SMILES for 5-[(2-aminophenyl)carbamoylamino]hexanoic acid is CC(CCCC(=O)O)NC(=O)Nc1ccccc1N.
What is the InChIKey of 5-[(2-aminophenyl)carbamoylamino]hexanoic acid?
The InChIKey is HIAPDDISLGXWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(5-4-8-12(17)18)15-13(19)16-11-7-3-2-6-10(11)14/h2-3,6-7,9H,4-5,8,14H2,1H3,(H,17,18)(H2,15,16,19).
What are the key properties of 5-[(2-aminophenyl)carbamoylamino]hexanoic acid?
5-[(2-aminophenyl)carbamoylamino]hexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.03, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminophenyl)carbamoylamino]hexanoic acid is sourced from PubChem (CID 82848077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).