2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid

C9H11N3O4 — CID 64580918

IUPAC2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1cnccc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(13)11-7(9(15)16)4-12-5-10-3-2-8(12)14/h2-3,5,7H,4H2,1H3,(H,11,13)(H,15,16)
InChIKeyMSAZCBMWHYCBJS-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.17
Rot. Bonds4

About 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid

2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid (PubChem CID 64580918) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid
PubChem CID64580918
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid
SMILESCC(=O)NC(Cn1cnccc1=O)C(=O)O
InChIInChI=1S/C9H11N3O4/c1-6(13)11-7(9(15)16)4-12-5-10-3-2-8(12)14/h2-3,5,7H,4H2,1H3,(H,11,13)(H,15,16)
InChIKeyMSAZCBMWHYCBJS-UHFFFAOYSA-N
XLogP-1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(propan-2-ylamino)propanoic acid
CID 56774539
2-(5-Amino-6-oxopyrimidin-1-yl)propanoic acid
CID 17859562
3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid
CID 136614758
2-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]butanoic acid
CID 140557756
Acetamide;2-(6-oxopyrimidin-1-yl)acetic acid
CID 157544475
(2S)-2-acetamido-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774518
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(propylamino)propanoic acid
CID 56774537
2-Acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 64581111
2-Acetamido-3-(3-methyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 64581120
2-Acetamido-3-(3-ethyl-2,6-dioxopyrimidin-1-yl)propanoic acid
CID 64581121
2-Acetamido-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
CID 64582100
3-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-acetamidopropanoic acid
CID 64583095

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid (CID 64580918) is 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid is CC(=O)NC(Cn1cnccc1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is MSAZCBMWHYCBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-6(13)11-7(9(15)16)4-12-5-10-3-2-8(12)14/h2-3,5,7H,4H2,1H3,(H,11,13)(H,15,16).
What are the key properties of 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid?
2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 225.20 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 64580918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).