2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid

C12H16N2O4 — CID 55152096

IUPAC2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cc(C2CC2)on1)C(C)(C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,11(16)17)14(3)10(15)8-6-9(18-13-8)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyCMNYDISRFHRPHS-UHFFFAOYSA-N
MW252.27 g/mol
LogP1.49
Rot. Bonds4

About 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 55152096) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID55152096
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCN(C(=O)c1cc(C2CC2)on1)C(C)(C)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-12(2,11(16)17)14(3)10(15)8-6-9(18-13-8)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,16,17)
InChIKeyCMNYDISRFHRPHS-UHFFFAOYSA-N
XLogP1.49
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[tert-butyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 79265864
bis(5-cyclopropyl-1,2-oxazol-3-yl)methanone
CID 175316695
3-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261347
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]benzoic acid
CID 43355762
5-cyclopropyl-N-methyl-N-(1-phenylethyl)-1,2-oxazole-3-carboxamide
CID 42892858
1-(5-cyclopropyl-1,2-oxazol-3-yl)ethanone;ethane
CID 178176268
2-[cyclopentyl-(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 60826942
5-cyclopropyl-N-[(4-ethylphenyl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 71900193
tert-butyl 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-[2-(dimethylamino)ethyl]amino]acetate
CID 60618706
5-cyclopropyl-N-ethyl-N-(3-hydroxypropyl)-1,2-oxazole-3-carboxamide
CID 115771332
2-methyl-2-[methyl-(4-methylpyridine-2-carbonyl)amino]propanoic acid
CID 110836392
N-butyl-5-cyclopropyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 55026114

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid (CID 55152096) is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid is CN(C(=O)c1cc(C2CC2)on1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is CMNYDISRFHRPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-12(2,11(16)17)14(3)10(15)8-6-9(18-13-8)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,16,17).
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 252.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55152096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).