2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid

C14H17N3O3 — CID 147610517

IUPAC2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)O)ccc2n1
InChIInChI=1S/C14H17N3O3/c1-4-9-7-12(18)17-8-10(5-6-11(17)15-9)16-14(2,3)13(19)20/h5-8,16H,4H2,1-3H3,(H,19,20)
InChIKeyGBXJIAWNRQUHPD-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.53
Rot. Bonds4

About 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid

2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (PubChem CID 147610517) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
PubChem CID147610517
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid
SMILESCCc1cc(=O)n2cc(NC(C)(C)C(=O)O)ccc2n1
InChIInChI=1S/C14H17N3O3/c1-4-9-7-12(18)17-8-10(5-6-11(17)15-9)16-14(2,3)13(19)20/h5-8,16H,4H2,1-3H3,(H,19,20)
InChIKeyGBXJIAWNRQUHPD-UHFFFAOYSA-N
XLogP1.53
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid (CID 147610517) is 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is CCc1cc(=O)n2cc(NC(C)(C)C(=O)O)ccc2n1.
What is the InChIKey of 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
The InChIKey is GBXJIAWNRQUHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-9-7-12(18)17-8-10(5-6-11(17)15-9)16-14(2,3)13(19)20/h5-8,16H,4H2,1-3H3,(H,19,20).
What are the key properties of 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid?
2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-4-oxopyrido[1,2-a]pyrimidin-7-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 147610517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).