2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid

C14H17N3O3 — CID 61013216

IUPAC2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C14H17N3O3/c1-3-16(9-13(19)20)8-11-7-12(18)17-6-4-5-10(2)14(17)15-11/h4-7H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyFDRMEPCGMOKHKP-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.91
Rot. Bonds5

About 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid

2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (PubChem CID 61013216) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
PubChem CID61013216
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
SMILESCCN(CC(=O)O)Cc1cc(=O)n2cccc(C)c2n1
InChIInChI=1S/C14H17N3O3/c1-3-16(9-13(19)20)8-11-7-12(18)17-6-4-5-10(2)14(17)15-11/h4-7H,3,8-9H2,1-2H3,(H,19,20)
InChIKeyFDRMEPCGMOKHKP-UHFFFAOYSA-N
XLogP0.91
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid (CID 61013216) is 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is CCN(CC(=O)O)Cc1cc(=O)n2cccc(C)c2n1.
What is the InChIKey of 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
The InChIKey is FDRMEPCGMOKHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-16(9-13(19)20)8-11-7-12(18)17-6-4-5-10(2)14(17)15-11/h4-7H,3,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid?
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid is sourced from PubChem (CID 61013216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).