3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid

C10H12N2O5 — CID 43357855

IUPAC3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
SMILESCn1ccc(C(=O)NC(CO)C(=O)O)cc1=O
InChIInChI=1S/C10H12N2O5/c1-12-3-2-6(4-8(12)14)9(15)11-7(5-13)10(16)17/h2-4,7,13H,5H2,1H3,(H,11,15)(H,16,17)
InChIKeyVZDQLXPBDHXQFW-UHFFFAOYSA-N
MW240.21 g/mol
LogP-1.44
Rot. Bonds4

About 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid

3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid (PubChem CID 43357855) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
PubChem CID43357855
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid
SMILESCn1ccc(C(=O)NC(CO)C(=O)O)cc1=O
InChIInChI=1S/C10H12N2O5/c1-12-3-2-6(4-8(12)14)9(15)11-7(5-13)10(16)17/h2-4,7,13H,5H2,1H3,(H,11,15)(H,16,17)
InChIKeyVZDQLXPBDHXQFW-UHFFFAOYSA-N
XLogP-1.44
TPSA108.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
2-[(3,5-dibromobenzoyl)amino]-3-hydroxypropanoic acid
CID 107971162
(2R)-2-[(3-bromo-4-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 107998015
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
2-[(6-bromonaphthalene-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 115353635
1-methyl-N-(3-methyl-2-oxobutyl)-2-oxopyridine-4-carboxamide
CID 104860744
2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 4135322
(2S)-2-[(3-chlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 23793307
(2S)-2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]-3-hydroxypropanoic acid
CID 61153771
N-[(S)-(4-fluorophenyl)-phenylmethyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 94044299
3-[[(1-methyl-2-oxopyridine-4-carbonyl)amino]methyl]pentanoic acid
CID 81065047
1-methyl-N-[(2R)-3-methyl-3-phenylbutan-2-yl]-2-oxopyridine-4-carboxamide
CID 95301985

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid (CID 43357855) is 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid is Cn1ccc(C(=O)NC(CO)C(=O)O)cc1=O.
What is the InChIKey of 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid?
The InChIKey is VZDQLXPBDHXQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-12-3-2-6(4-8(12)14)9(15)11-7(5-13)10(16)17/h2-4,7,13H,5H2,1H3,(H,11,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid?
3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid has a molecular weight of 240.21 g/mol, XLogP of -1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[(1-methyl-2-oxopyridine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43357855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).