2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid

C11H14N2O6 — CID 78910383

IUPAC2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
SMILESCCc1noc(C)c1C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C11H14N2O6/c1-3-6-9(5(2)19-13-6)10(16)12-7(11(17)18)4-8(14)15/h7H,3-4H2,1-2H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyIFBNKFHFYHNRFA-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.20
Rot. Bonds6

About 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid

2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid (PubChem CID 78910383) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
PubChem CID78910383
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid
SMILESCCc1noc(C)c1C(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C11H14N2O6/c1-3-6-9(5(2)19-13-6)10(16)12-7(11(17)18)4-8(14)15/h7H,3-4H2,1-2H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyIFBNKFHFYHNRFA-UHFFFAOYSA-N
XLogP0.20
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 43171999
(3R)-3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 95766310
3-ethyl-N-(1-hydroxybutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 43418034
methyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
CID 60668865
3-ethyl-N-(1-hydroxy-3-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 79255223
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
(2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]butanedioic acid
CID 112732912
N-[cyclopropyl(phenyl)methyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 42929290
3-ethyl-5-methyl-N-[(1S)-1-pyridin-4-ylethyl]-1,2-oxazole-4-carboxamide
CID 27233350
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 63615998
2-[(4,5-dimethyl-1,2-oxazole-3-carbonyl)amino]butanoic acid
CID 110836460

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid?
The IUPAC name of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid (CID 78910383) is 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid?
The canonical SMILES for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid is CCc1noc(C)c1C(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid?
The InChIKey is IFBNKFHFYHNRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-3-6-9(5(2)19-13-6)10(16)12-7(11(17)18)4-8(14)15/h7H,3-4H2,1-2H3,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid?
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid has a molecular weight of 270.24 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 78910383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).