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

C10H13N3O5 — CID 106346904

IUPAC3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)C(NC(=O)c1cc(C(=O)O)on1)C(N)=O
InChIInChI=1S/C10H13N3O5/c1-4(2)7(8(11)14)12-9(15)5-3-6(10(16)17)18-13-5/h3-4,7H,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyFSWUXXGGUJECJI-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.39
Rot. Bonds5

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

3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 106346904) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID106346904
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCC(C)C(NC(=O)c1cc(C(=O)O)on1)C(N)=O
InChIInChI=1S/C10H13N3O5/c1-4(2)7(8(11)14)12-9(15)5-3-6(10(16)17)18-13-5/h3-4,7H,1-2H3,(H2,11,14)(H,12,15)(H,16,17)
InChIKeyFSWUXXGGUJECJI-UHFFFAOYSA-N
XLogP-0.39
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369219
3-(4-methylhexan-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369739
3-(pent-4-en-2-ylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369962
3-(1-cyclohexylethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369564
3-[1-(2-methylphenyl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369381
3-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 114182526
3-[[3-(butan-2-ylamino)-3-oxopropyl]carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369494
3-[1-(4-fluorophenyl)propan-2-ylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369608
3-hydroxy-2-[(5-methoxycarbonyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 155969876
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
5-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821756

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 106346904) is 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CC(C)C(NC(=O)c1cc(C(=O)O)on1)C(N)=O.
What is the InChIKey of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is FSWUXXGGUJECJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-4(2)7(8(11)14)12-9(15)5-3-6(10(16)17)18-13-5/h3-4,7H,1-2H3,(H2,11,14)(H,12,15)(H,16,17).
What are the key properties of 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 255.23 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 106346904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).