2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid

C10H12N2O3 — CID 82237015

IUPAC2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)n1cccnc1=O
InChIInChI=1S/C10H12N2O3/c1-10(8(13)14,7-3-4-7)12-6-2-5-11-9(12)15/h2,5-7H,3-4H2,1H3,(H,13,14)
InChIKeyPHEZBPVJIDYZFC-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.45
Rot. Bonds3

About 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid

2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 82237015) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid
PubChem CID82237015
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)n1cccnc1=O
InChIInChI=1S/C10H12N2O3/c1-10(8(13)14,7-3-4-7)12-6-2-5-11-9(12)15/h2,5-7H,3-4H2,1H3,(H,13,14)
InChIKeyPHEZBPVJIDYZFC-UHFFFAOYSA-N
XLogP0.45
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-(2-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

3-Methyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 69581589
(2S)-4-methyl-2-[methyl(2H-pyrimidin-1-ylmethoxycarbonyl)amino]pentanoic acid
CID 142635086
2-Cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43360373
1-(2-Oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235586
2-Methyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 82237237
2-Ethyl-2-(2-oxopyrimidin-1-yl)butanoic acid
CID 82239096
4-Methyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 84015609
2-(2-Oxopyrimidin-1-yl)-2-propylpentanoic acid
CID 93826743
2,4-Dimethyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 114987523
2-Methyl-2-(2-oxopyrimidin-1-yl)pentanoic acid
CID 114989456
2,5-Dimethyl-2-(2-oxopyrimidin-1-yl)hexanoic acid
CID 114990602

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid (CID 82237015) is 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid is CC(C(=O)O)(C1CC1)n1cccnc1=O.
What is the InChIKey of 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is PHEZBPVJIDYZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-10(8(13)14,7-3-4-7)12-6-2-5-11-9(12)15/h2,5-7H,3-4H2,1H3,(H,13,14).
What are the key properties of 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid?
2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 208.22 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 82237015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).