2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid

C10H9N3O3 — CID 115031157

IUPAC2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid
SMILESNc1cccn2c(=O)c(CC(=O)O)cnc12
InChIInChI=1S/C10H9N3O3/c11-7-2-1-3-13-9(7)12-5-6(10(13)16)4-8(14)15/h1-3,5H,4,11H2,(H,14,15)
InChIKeyRVSKBHTVHIKSSF-UHFFFAOYSA-N
MW219.20 g/mol
LogP-0.10
Rot. Bonds2

About 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid

2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid (PubChem CID 115031157) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid
PubChem CID115031157
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid
SMILESNc1cccn2c(=O)c(CC(=O)O)cnc12
InChIInChI=1S/C10H9N3O3/c11-7-2-1-3-13-9(7)12-5-6(10(13)16)4-8(14)15/h1-3,5H,4,11H2,(H,14,15)
InChIKeyRVSKBHTVHIKSSF-UHFFFAOYSA-N
XLogP-0.10
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 8-aminoimidazo[1,2-a]pyridine-3-carboxylate
CID 131336795
2-(3-amino-4-oxoquinolizin-1-yl)acetic acid
CID 82393340
9-fluoro-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
CID 115025656
9-amino-4-oxopyrido[1,2-a]pyrimidine-2-carboxylic acid
CID 115023809
2-(3-chloroimidazo[1,5-a]pyridin-8-yl)acetic acid
CID 83834903
2-(3-amino-2-pyridinyl)acetic acid
CID 12716519
2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83878677
2-(9-hydroxy-4-oxopyrido[1,2-a]pyrimidin-2-yl)acetic acid
CID 115031785
2-(3-ethylimidazo[1,5-a]pyridin-8-yl)acetic acid
CID 83832478
3-(3-chloroimidazo[1,2-a]pyridin-8-yl)-2-methylpropanoic acid
CID 83842801
2-imidazo[1,2-a]pyridin-3-ylacetic acid;dihydrochloride
CID 67654872
9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carbonitrile
CID 15136156

Frequently Asked Questions

What is the IUPAC name of 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid (CID 115031157) is 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid is Nc1cccn2c(=O)c(CC(=O)O)cnc12.
What is the InChIKey of 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid?
The InChIKey is RVSKBHTVHIKSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c11-7-2-1-3-13-9(7)12-5-6(10(13)16)4-8(14)15/h1-3,5H,4,11H2,(H,14,15).
What are the key properties of 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid?
2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid has a molecular weight of 219.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-amino-4-oxopyrido[1,2-a]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 115031157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).