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

C12H13N3O3 — CID 43442340

IUPAC2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H13N3O3/c1-14(8-12(17)18)7-9-6-11(16)15-5-3-2-4-10(15)13-9/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyMJBREVQVALTMJY-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.21
Rot. Bonds4

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

2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (PubChem CID 43442340) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
PubChem CID43442340
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCN(CC(=O)O)Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H13N3O3/c1-14(8-12(17)18)7-9-6-11(16)15-5-3-2-4-10(15)13-9/h2-6H,7-8H2,1H3,(H,17,18)
InChIKeyMJBREVQVALTMJY-UHFFFAOYSA-N
XLogP0.21
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.21
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]acetic acid?
The IUPAC name of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (CID 43442340) is 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is CN(CC(=O)O)Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The InChIKey is MJBREVQVALTMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-14(8-12(17)18)7-9-6-11(16)15-5-3-2-4-10(15)13-9/h2-6H,7-8H2,1H3,(H,17,18).
What are the key properties of 2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
2-[methyl-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.21, 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]acetic acid is sourced from PubChem (CID 43442340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).