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

C14H15N3O4 — CID 107564699

IUPAC(2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)O
InChIInChI=1S/C14H15N3O4/c1-2-5-10(14(20)21)16-12(18)9-8-15-11-6-3-4-7-17(11)13(9)19/h3-4,6-8,10H,2,5H2,1H3,(H,16,18)(H,20,21)/t10-/m0/s1
InChIKeyZHQBSBQFNRCKCM-JTQLQIEISA-N
MW289.29 g/mol
LogP0.68
Rot. Bonds5

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

(2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid (PubChem CID 107564699) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid
PubChem CID107564699
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name(2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid
SMILESCCC[C@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)O
InChIInChI=1S/C14H15N3O4/c1-2-5-10(14(20)21)16-12(18)9-8-15-11-6-3-4-7-17(11)13(9)19/h3-4,6-8,10H,2,5H2,1H3,(H,16,18)(H,20,21)/t10-/m0/s1
InChIKeyZHQBSBQFNRCKCM-JTQLQIEISA-N
XLogP0.68
TPSA100.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The IUPAC name of (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid (CID 107564699) is (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid is CCC[C@H](NC(=O)c1cnc2ccccn2c1=O)C(=O)O.
What is the InChIKey of (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
The InChIKey is ZHQBSBQFNRCKCM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15N3O4/c1-2-5-10(14(20)21)16-12(18)9-8-15-11-6-3-4-7-17(11)13(9)19/h3-4,6-8,10H,2,5H2,1H3,(H,16,18)(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid?
(2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid has a molecular weight of 289.29 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 107564699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).