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

C14H17N3O3 — CID 43631791

IUPAC2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-2-5-11(14(19)20)15-9-10-8-13(18)17-7-4-3-6-12(17)16-10/h3-4,6-8,11,15H,2,5,9H2,1H3,(H,19,20)
InChIKeyNSILZBLYUVTENQ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.04
Rot. Bonds6

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

2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid (PubChem CID 43631791) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
PubChem CID43631791
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid
SMILESCCCC(NCc1cc(=O)n2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-2-5-11(14(19)20)15-9-10-8-13(18)17-7-4-3-6-12(17)16-10/h3-4,6-8,11,15H,2,5,9H2,1H3,(H,19,20)
InChIKeyNSILZBLYUVTENQ-UHFFFAOYSA-N
XLogP1.04
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.04
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)methylamino]pentanoic acid?
The IUPAC name of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid (CID 43631791) is 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid.
What is the SMILES notation for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The canonical SMILES for 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid is CCCC(NCc1cc(=O)n2ccccc2n1)C(=O)O.
What is the InChIKey of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
The InChIKey is NSILZBLYUVTENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-2-5-11(14(19)20)15-9-10-8-13(18)17-7-4-3-6-12(17)16-10/h3-4,6-8,11,15H,2,5,9H2,1H3,(H,19,20).
What are the key properties of 2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid?
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.04, 6 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)methylamino]pentanoic acid is sourced from PubChem (CID 43631791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).