3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C8H9N3O5 — CID 107369219

IUPAC3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(NC(=O)c1cc(C(=O)O)on1)C(N)=O
InChIInChI=1S/C8H9N3O5/c1-3(6(9)12)10-7(13)4-2-5(8(14)15)16-11-4/h2-3H,1H3,(H2,9,12)(H,10,13)(H,14,15)
InChIKeyXKUJTQUQZPYKSA-UHFFFAOYSA-N
MW227.18 g/mol
LogP-1.02
Rot. Bonds4

About 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369219) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369219
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(NC(=O)c1cc(C(=O)O)on1)C(N)=O
InChIInChI=1S/C8H9N3O5/c1-3(6(9)12)10-7(13)4-2-5(8(14)15)16-11-4/h2-3H,1H3,(H2,9,12)(H,10,13)(H,14,15)
InChIKeyXKUJTQUQZPYKSA-UHFFFAOYSA-N
XLogP-1.02
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic 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-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
N-[(2S)-1-amino-1-oxopropan-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 130166246
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
5-(propan-2-ylcarbamoyl)-1,2-oxazole-3-carboxylic acid
CID 117218137
3-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369708
3-(2,2,3-trimethylbutylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 114101640
3-[(4-propan-2-ylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369073

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369219) is 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC(NC(=O)c1cc(C(=O)O)on1)C(N)=O.
What is the InChIKey of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is XKUJTQUQZPYKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c1-3(6(9)12)10-7(13)4-2-5(8(14)15)16-11-4/h2-3H,1H3,(H2,9,12)(H,10,13)(H,14,15).
What are the key properties of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 227.18 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).