2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid

C13H15N3O3 — CID 122060679

IUPAC2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)n2ccccc2n1)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-2-5-9(13(18)19)14-10-8-12(17)16-7-4-3-6-11(16)15-10/h3-4,6-9,14H,2,5H2,1H3,(H,18,19)
InChIKeyLMBLOOQWTIVOKK-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.36
Rot. Bonds5

About 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid

2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 122060679) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
PubChem CID122060679
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1cc(=O)n2ccccc2n1)C(=O)O
InChIInChI=1S/C13H15N3O3/c1-2-5-9(13(18)19)14-10-8-12(17)16-7-4-3-6-11(16)15-10/h3-4,6-9,14H,2,5H2,1H3,(H,18,19)
InChIKeyLMBLOOQWTIVOKK-UHFFFAOYSA-N
XLogP1.36
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid (CID 122060679) is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid is CCCC(Nc1cc(=O)n2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is LMBLOOQWTIVOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-5-9(13(18)19)14-10-8-12(17)16-7-4-3-6-11(16)15-10/h3-4,6-9,14H,2,5H2,1H3,(H,18,19).
What are the key properties of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122060679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).