2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

C10H14N2O4 — CID 110836460

IUPAC2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1noc(C)c1C)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-4-7(10(14)15)11-9(13)8-5(2)6(3)16-12-8/h7H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyFVSSFKDNGVDIEE-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.88
Rot. Bonds4

About 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid

2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (PubChem CID 110836460) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
PubChem CID110836460
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)c1noc(C)c1C)C(=O)O
InChIInChI=1S/C10H14N2O4/c1-4-7(10(14)15)11-9(13)8-5(2)6(3)16-12-8/h7H,4H2,1-3H3,(H,11,13)(H,14,15)
InChIKeyFVSSFKDNGVDIEE-UHFFFAOYSA-N
XLogP0.88
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(Cyclopropylcarbamoyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 5325757
3-Tert-butylaminocarbonyl-5-methylisoxazole-4-carboxylic acid
CID 10513407
3-(3,4-dimethyl-7-oxoisoxazolo[3,4-d]pyridazin-6(7H)-yl)propanoic acid
CID 10681338
4-(3,4-Dimethyl-7-oxo-7H-isoxazolo[3,4-d]pyridazin-6-yl)-butyric acid
CID 10682160
(3,4-Dimethyl-7-oxo-7H-isoxazolo[3,4-d]pyridazin-6-yl)-acetic acid
CID 10822956
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-pyrrolidin-1-ylbutyl)acetamide
CID 45887235
4-[2-[Acetyl(hydroxy)amino]ethyl]-5-methyl-isoxazole-3-carboxylic acid
CID 56680429
N-cyclopentyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589831
methyl (2S)-3-methyl-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanoate
CID 2747413
(5-Methylisoxazole-3-carbonyl)-l-threonine
CID 28777334
2-(Dimethyl-1,2-oxazol-4-yl)-1-(piperazin-1-yl)ethan-1-one
CID 16228155
N-cyclohexyl-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 19589872

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid (CID 110836460) is 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is CCC(NC(=O)c1noc(C)c1C)C(=O)O.
What is the InChIKey of 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
The InChIKey is FVSSFKDNGVDIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-7(10(14)15)11-9(13)8-5(2)6(3)16-12-8/h7H,4H2,1-3H3,(H,11,13)(H,14,15).
What are the key properties of 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid?
2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).