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

C13H15N3O3 — CID 43442502

IUPAC2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCc1ccn2c(=O)cc(CN(C)CC(=O)O)nc2c1
InChIInChI=1S/C13H15N3O3/c1-9-3-4-16-11(5-9)14-10(6-12(16)17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyIGRXQCDTAILCIX-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.52
Rot. Bonds4

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

2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (PubChem CID 43442502) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
PubChem CID43442502
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCc1ccn2c(=O)cc(CN(C)CC(=O)O)nc2c1
InChIInChI=1S/C13H15N3O3/c1-9-3-4-16-11(5-9)14-10(6-12(16)17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKeyIGRXQCDTAILCIX-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (CID 43442502) is 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is Cc1ccn2c(=O)cc(CN(C)CC(=O)O)nc2c1.
What is the InChIKey of 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The InChIKey is IGRXQCDTAILCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-3-4-16-11(5-9)14-10(6-12(16)17)7-15(2)8-13(18)19/h3-6H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid has a molecular weight of 261.28 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 43442502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).