2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid

C13H15N3O3 — CID 43466908

IUPAC2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
SMILESCc1cccn2c(=O)cc(CNC(C)C(=O)O)nc12
InChIInChI=1S/C13H15N3O3/c1-8-4-3-5-16-11(17)6-10(15-12(8)16)7-14-9(2)13(18)19/h3-6,9,14H,7H2,1-2H3,(H,18,19)
InChIKeyFUSTTXYYARGNJL-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.57
Rot. Bonds4

About 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid

2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid (PubChem CID 43466908) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
PubChem CID43466908
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid
SMILESCc1cccn2c(=O)cc(CNC(C)C(=O)O)nc12
InChIInChI=1S/C13H15N3O3/c1-8-4-3-5-16-11(17)6-10(15-12(8)16)7-14-9(2)13(18)19/h3-6,9,14H,7H2,1-2H3,(H,18,19)
InChIKeyFUSTTXYYARGNJL-UHFFFAOYSA-N
XLogP0.57
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid?
The IUPAC name of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid (CID 43466908) is 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid.
What is the SMILES notation for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid?
The canonical SMILES for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid is Cc1cccn2c(=O)cc(CNC(C)C(=O)O)nc12.
What is the InChIKey of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid?
The InChIKey is FUSTTXYYARGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-4-3-5-16-11(17)6-10(15-12(8)16)7-14-9(2)13(18)19/h3-6,9,14H,7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid?
2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]propanoic acid is sourced from PubChem (CID 43466908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).