2-(2-phenylanilino)pentanoic acid

C17H19NO2 — CID 83037413

IUPAC2-(2-phenylanilino)pentanoic acid
SMILESCCCC(Nc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-8-16(17(19)20)18-15-12-7-6-11-14(15)13-9-4-3-5-10-13/h3-7,9-12,16,18H,2,8H2,1H3,(H,19,20)
InChIKeyTWJIAVGIVMVQHA-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.02
Rot. Bonds6

About 2-(2-phenylanilino)pentanoic acid

2-(2-phenylanilino)pentanoic acid (PubChem CID 83037413) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(2-phenylanilino)pentanoic acid.

Molecular Properties

Compound Name2-(2-phenylanilino)pentanoic acid
PubChem CID83037413
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(2-phenylanilino)pentanoic acid
SMILESCCCC(Nc1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H19NO2/c1-2-8-16(17(19)20)18-15-12-7-6-11-14(15)13-9-4-3-5-10-13/h3-7,9-12,16,18H,2,8H2,1H3,(H,19,20)
InChIKeyTWJIAVGIVMVQHA-UHFFFAOYSA-N
XLogP4.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-aminophenyl)anilino]pentanoic acid
CID 22051506
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-phenylphenyl)pentanoic acid
CID 67565626
2-(2-methylsulfanylanilino)hexanoic acid
CID 107645239
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
2-[[(2R)-pentan-2-yl]amino]-N-(2-phenylphenyl)acetamide
CID 2112768
2-(2,6-dibromoanilino)pentanoic acid
CID 107598874
2-(9H-fluoren-9-ylamino)pentanoic acid
CID 65054645
2-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 43631351

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylanilino)pentanoic acid?
The IUPAC name of 2-(2-phenylanilino)pentanoic acid (CID 83037413) is 2-(2-phenylanilino)pentanoic acid.
What is the SMILES notation for 2-(2-phenylanilino)pentanoic acid?
The canonical SMILES for 2-(2-phenylanilino)pentanoic acid is CCCC(Nc1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenylanilino)pentanoic acid?
The InChIKey is TWJIAVGIVMVQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-8-16(17(19)20)18-15-12-7-6-11-14(15)13-9-4-3-5-10-13/h3-7,9-12,16,18H,2,8H2,1H3,(H,19,20).
What are the key properties of 2-(2-phenylanilino)pentanoic acid?
2-(2-phenylanilino)pentanoic acid has a molecular weight of 269.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylanilino)pentanoic acid is sourced from PubChem (CID 83037413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).