2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid

C12H13N3O3 — CID 43465916

IUPAC2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid
SMILESCc1ccn2c(=O)cc(CNCC(=O)O)nc2c1
InChIInChI=1S/C12H13N3O3/c1-8-2-3-15-10(4-8)14-9(5-11(15)16)6-13-7-12(17)18/h2-5,13H,6-7H2,1H3,(H,17,18)
InChIKeyKTCVQXLAWZUFDO-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.18
Rot. Bonds4

About 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid

2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid (PubChem CID 43465916) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid
PubChem CID43465916
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid
SMILESCc1ccn2c(=O)cc(CNCC(=O)O)nc2c1
InChIInChI=1S/C12H13N3O3/c1-8-2-3-15-10(4-8)14-9(5-11(15)16)6-13-7-12(17)18/h2-5,13H,6-7H2,1H3,(H,17,18)
InChIKeyKTCVQXLAWZUFDO-UHFFFAOYSA-N
XLogP0.18
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid (CID 43465916) is 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid is Cc1ccn2c(=O)cc(CNCC(=O)O)nc2c1.
What is the InChIKey of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
The InChIKey is KTCVQXLAWZUFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-2-3-15-10(4-8)14-9(5-11(15)16)6-13-7-12(17)18/h2-5,13H,6-7H2,1H3,(H,17,18).
What are the key properties of 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid?
2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid has a molecular weight of 247.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetic acid is sourced from PubChem (CID 43465916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).