2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C15H15ClN2O5 — CID 118176790

IUPAC2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H15ClN2O5/c16-10-3-1-9(2-4-10)8-18-6-5-11(19)13(15(18)23)14(22)17-7-12(20)21/h1-4,19H,5-8H2,(H,17,22)(H,20,21)
InChIKeyYRKKGCWXFXFTPG-UHFFFAOYSA-N
MW338.75 g/mol
LogP1.09
Rot. Bonds5

About 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 118176790) has the molecular formula C15H15ClN2O5 and a molecular weight of 338.75 g/mol. Its IUPAC name is 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID118176790
Molecular FormulaC15H15ClN2O5
Molecular Weight338.75 g/mol
Exact Mass338.07
IUPAC Name2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C15H15ClN2O5/c16-10-3-1-9(2-4-10)8-18-6-5-11(19)13(15(18)23)14(22)17-7-12(20)21/h1-4,19H,5-8H2,(H,17,22)(H,20,21)
InChIKeyYRKKGCWXFXFTPG-UHFFFAOYSA-N
XLogP1.09
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 118176790) is 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is YRKKGCWXFXFTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O5/c16-10-3-1-9(2-4-10)8-18-6-5-11(19)13(15(18)23)14(22)17-7-12(20)21/h1-4,19H,5-8H2,(H,17,22)(H,20,21).
What are the key properties of 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 338.75 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 118176790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).