2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid

C17H18N2O5 — CID 54749083

IUPAC2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
SMILESCc1c(O)c(C(=O)NCC(=O)O)c(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C17H18N2O5/c1-10-11(2)19(9-12-6-4-3-5-7-12)17(24)14(15(10)22)16(23)18-8-13(20)21/h3-7,22H,8-9H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyHMAUHOQJEUNTGR-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.03
Rot. Bonds5

About 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid

2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid (PubChem CID 54749083) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
PubChem CID54749083
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid
SMILESCc1c(O)c(C(=O)NCC(=O)O)c(=O)n(Cc2ccccc2)c1C
InChIInChI=1S/C17H18N2O5/c1-10-11(2)19(9-12-6-4-3-5-7-12)17(24)14(15(10)22)16(23)18-8-13(20)21/h3-7,22H,8-9H2,1-2H3,(H,18,23)(H,20,21)
InChIKeyHMAUHOQJEUNTGR-UHFFFAOYSA-N
XLogP1.03
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid (CID 54749083) is 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid is Cc1c(O)c(C(=O)NCC(=O)O)c(=O)n(Cc2ccccc2)c1C.
What is the InChIKey of 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
The InChIKey is HMAUHOQJEUNTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-10-11(2)19(9-12-6-4-3-5-7-12)17(24)14(15(10)22)16(23)18-8-13(20)21/h3-7,22H,8-9H2,1-2H3,(H,18,23)(H,20,21).
What are the key properties of 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid?
2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid has a molecular weight of 330.34 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-4-hydroxy-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 54749083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).