2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid

C13H13N3O5 — CID 107832706

IUPAC2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H13N3O5/c17-9(13(20)21)4-5-14-11(18)8-7-15-10-3-1-2-6-16(10)12(8)19/h1-3,6-7,9,17H,4-5H2,(H,14,18)(H,20,21)
InChIKeyCGHDJBOVVJGXSP-UHFFFAOYSA-N
MW291.26 g/mol
LogP-0.74
Rot. Bonds5

About 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid

2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid (PubChem CID 107832706) has the molecular formula C13H13N3O5 and a molecular weight of 291.26 g/mol. Its IUPAC name is 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
PubChem CID107832706
Molecular FormulaC13H13N3O5
Molecular Weight291.26 g/mol
Exact Mass291.09
IUPAC Name2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
SMILESO=C(NCCC(O)C(=O)O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H13N3O5/c17-9(13(20)21)4-5-14-11(18)8-7-15-10-3-1-2-6-16(10)12(8)19/h1-3,6-7,9,17H,4-5H2,(H,14,18)(H,20,21)
InChIKeyCGHDJBOVVJGXSP-UHFFFAOYSA-N
XLogP-0.74
TPSA121.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
4-oxo-N-(4-phenylbutyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 47019141
N-(2-methylsulfinylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110226043
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
2-hydroxy-4-(pyrazolo[1,5-a]pyridine-3-carbonylamino)butanoic acid
CID 114006253
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 110885527
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
N-(2-hydroxy-2-thiophen-3-ylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111441739
N-[(2-chlorophenyl)methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 3396388
4-oxo-N-[(1-phenylcyclobutyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 16614989

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid (CID 107832706) is 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid is O=C(NCCC(O)C(=O)O)c1cnc2ccccn2c1=O.
What is the InChIKey of 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid?
The InChIKey is CGHDJBOVVJGXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O5/c17-9(13(20)21)4-5-14-11(18)8-7-15-10-3-1-2-6-16(10)12(8)19/h1-3,6-7,9,17H,4-5H2,(H,14,18)(H,20,21).
What are the key properties of 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid?
2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid has a molecular weight of 291.26 g/mol, XLogP of -0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 107832706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).