2-[2-(4-aminophenyl)anilino]pentanoic acid

C17H20N2O2 — CID 22051506

IUPAC2-[2-(4-aminophenyl)anilino]pentanoic acid
SMILESCCCC(Nc1ccccc1-c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-5-16(17(20)21)19-15-7-4-3-6-14(15)12-8-10-13(18)11-9-12/h3-4,6-11,16,19H,2,5,18H2,1H3,(H,20,21)
InChIKeyWYDOJZJNLQKYGR-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-(4-aminophenyl)anilino]pentanoic acid

2-[2-(4-aminophenyl)anilino]pentanoic acid (PubChem CID 22051506) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)anilino]pentanoic acid.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)anilino]pentanoic acid
PubChem CID22051506
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2-[2-(4-aminophenyl)anilino]pentanoic acid
SMILESCCCC(Nc1ccccc1-c1ccc(N)cc1)C(=O)O
InChIInChI=1S/C17H20N2O2/c1-2-5-16(17(20)21)19-15-7-4-3-6-14(15)12-8-10-13(18)11-9-12/h3-4,6-11,16,19H,2,5,18H2,1H3,(H,20,21)
InChIKeyWYDOJZJNLQKYGR-UHFFFAOYSA-N
XLogP3.60
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[2-(4-aminophenyl)anilino]pentanoic 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

2-(2-phenylanilino)pentanoic acid
CID 83037413
2-(2-phenylanilino)decanoic acid
CID 172791149
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
(2S)-2-anilinopentanoic acid
CID 22847649
2-[2-(methoxymethyl)anilino]pentanoic acid
CID 83041000
2-[2-(4-aminophenyl)anilino]acetic acid
CID 22051456
2-(2-phenylphenyl)pentanoic acid
CID 67565626
methyl 2-(2-phenylanilino)propanoate
CID 54941069
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
(2S)-2-amino-N-(2-phenylphenyl)hexanamide
CID 103830910
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)anilino]pentanoic acid?
The IUPAC name of 2-[2-(4-aminophenyl)anilino]pentanoic acid (CID 22051506) is 2-[2-(4-aminophenyl)anilino]pentanoic acid.
What is the SMILES notation for 2-[2-(4-aminophenyl)anilino]pentanoic acid?
The canonical SMILES for 2-[2-(4-aminophenyl)anilino]pentanoic acid is CCCC(Nc1ccccc1-c1ccc(N)cc1)C(=O)O.
What is the InChIKey of 2-[2-(4-aminophenyl)anilino]pentanoic acid?
The InChIKey is WYDOJZJNLQKYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-5-16(17(20)21)19-15-7-4-3-6-14(15)12-8-10-13(18)11-9-12/h3-4,6-11,16,19H,2,5,18H2,1H3,(H,20,21).
What are the key properties of 2-[2-(4-aminophenyl)anilino]pentanoic acid?
2-[2-(4-aminophenyl)anilino]pentanoic acid has a molecular weight of 284.36 g/mol, XLogP of 3.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)anilino]pentanoic acid is sourced from PubChem (CID 22051506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).