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

C13H20N2O4 — CID 62818954

IUPAC2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1noc(C)c1C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-6-9-10(8(3)19-14-9)11(16)15(7-2)13(4,5)12(17)18/h6-7H2,1-5H3,(H,17,18)
InChIKeyFDYMIMILHIJXON-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.87
Rot. Bonds5

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

2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62818954) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62818954
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
SMILESCCc1noc(C)c1C(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C13H20N2O4/c1-6-9-10(8(3)19-14-9)11(16)15(7-2)13(4,5)12(17)18/h6-7H2,1-5H3,(H,17,18)
InChIKeyFDYMIMILHIJXON-UHFFFAOYSA-N
XLogP1.87
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60825607
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 115771797
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990361
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
ethyl 2-[cyclopropyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]acetate
CID 61410019
2-[ethyl-(6-methylpyridine-2-carbonyl)amino]-2-methylpropanoic acid
CID 62823687
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 63105123
methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
CID 54997668
2-[(2,6-difluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 55123816

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid (CID 62818954) is 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid is CCc1noc(C)c1C(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is FDYMIMILHIJXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-6-9-10(8(3)19-14-9)11(16)15(7-2)13(4,5)12(17)18/h6-7H2,1-5H3,(H,17,18).
What are the key properties of 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62818954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).