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

C13H15N3O3 — CID 62639822

IUPAC2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H15N3O3/c1-9(13(18)19)15(2)8-10-7-12(17)16-6-4-3-5-11(16)14-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyVMBJVLQBBJBLQX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.60
Rot. Bonds4

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

2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid (PubChem CID 62639822) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
PubChem CID62639822
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C13H15N3O3/c1-9(13(18)19)15(2)8-10-7-12(17)16-6-4-3-5-11(16)14-10/h3-7,9H,8H2,1-2H3,(H,18,19)
InChIKeyVMBJVLQBBJBLQX-UHFFFAOYSA-N
XLogP0.60
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid (CID 62639822) is 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid is CC(C(=O)O)N(C)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
The InChIKey is VMBJVLQBBJBLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(13(18)19)15(2)8-10-7-12(17)16-6-4-3-5-11(16)14-10/h3-7,9H,8H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid?
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 62639822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).