2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid

C15H15N3O3 — CID 107340926

IUPAC2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
SMILESNc1ccc(CC(=O)Nc2ccc(CC(=O)O)nc2)cc1
InChIInChI=1S/C15H15N3O3/c16-11-3-1-10(2-4-11)7-14(19)18-13-6-5-12(17-9-13)8-15(20)21/h1-6,9H,7-8,16H2,(H,18,19)(H,20,21)
InChIKeyQOFSKHJUURHYPF-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.47
Rot. Bonds5

About 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid

2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid (PubChem CID 107340926) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
PubChem CID107340926
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid
SMILESNc1ccc(CC(=O)Nc2ccc(CC(=O)O)nc2)cc1
InChIInChI=1S/C15H15N3O3/c16-11-3-1-10(2-4-11)7-14(19)18-13-6-5-12(17-9-13)8-15(20)21/h1-6,9H,7-8,16H2,(H,18,19)(H,20,21)
InChIKeyQOFSKHJUURHYPF-UHFFFAOYSA-N
XLogP1.47
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic 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-[5-[[2-(4-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338384
2-[5-[[2-(4-bromophenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338937
2-[5-(carbamoylamino)-2-pyridinyl]acetic acid
CID 107339512
2-[5-[(2-pyridin-3-ylacetyl)amino]-2-pyridinyl]acetic acid
CID 107339387
2-(5-amino-2-pyridinyl)-N-(6-fluoro-3-pyridinyl)acetamide
CID 114052733
2-[5-[[2-(2-methylphenyl)acetyl]amino]-2-pyridinyl]acetic acid
CID 107338478
4-[[2-(5-amino-2-pyridinyl)acetyl]amino]benzoic acid
CID 107338179
2-[5-[(2-cyclopropylacetyl)amino]-2-pyridinyl]acetic acid
CID 107338810
2-[5-[(4-amino-4-methylpentanoyl)amino]-2-pyridinyl]acetic acid
CID 107341132
N-(4-acetamidophenyl)-2-(5-amino-2-pyridinyl)acetamide
CID 107337507
2-(5-amino-2-pyridinyl)-N-[4-(cyanomethyl)phenyl]acetamide
CID 107337812
2-[5-(2-aminopropanoylamino)-2-pyridinyl]acetic acid
CID 107341028

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid (CID 107340926) is 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid is Nc1ccc(CC(=O)Nc2ccc(CC(=O)O)nc2)cc1.
What is the InChIKey of 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
The InChIKey is QOFSKHJUURHYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-11-3-1-10(2-4-11)7-14(19)18-13-6-5-12(17-9-13)8-15(20)21/h1-6,9H,7-8,16H2,(H,18,19)(H,20,21).
What are the key properties of 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid?
2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid has a molecular weight of 285.30 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[2-(4-aminophenyl)acetyl]amino]-2-pyridinyl]acetic acid is sourced from PubChem (CID 107340926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).