2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid

C15H17N3O3 — CID 82898998

IUPAC2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
SMILESNc1ccccc1N(CCn1ccccc1=O)CC(=O)O
InChIInChI=1S/C15H17N3O3/c16-12-5-1-2-6-13(12)18(11-15(20)21)10-9-17-8-4-3-7-14(17)19/h1-8H,9-11,16H2,(H,20,21)
InChIKeyWMPFDTHZVMEQRF-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.02
Rot. Bonds6

About 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid

2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid (PubChem CID 82898998) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
PubChem CID82898998
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid
SMILESNc1ccccc1N(CCn1ccccc1=O)CC(=O)O
InChIInChI=1S/C15H17N3O3/c16-12-5-1-2-6-13(12)18(11-15(20)21)10-9-17-8-4-3-7-14(17)19/h1-8H,9-11,16H2,(H,20,21)
InChIKeyWMPFDTHZVMEQRF-UHFFFAOYSA-N
XLogP1.02
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid (CID 82898998) is 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid is Nc1ccccc1N(CCn1ccccc1=O)CC(=O)O.
What is the InChIKey of 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
The InChIKey is WMPFDTHZVMEQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-12-5-1-2-6-13(12)18(11-15(20)21)10-9-17-8-4-3-7-14(17)19/h1-8H,9-11,16H2,(H,20,21).
What are the key properties of 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid?
2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-[2-(2-oxo-1-pyridinyl)ethyl]anilino]acetic acid is sourced from PubChem (CID 82898998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).