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

C10H14N2O4 — CID 16771650

IUPAC3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid
SMILESCc1oncc1C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H14N2O4/c1-5(2)8(10(14)15)12-9(13)7-4-11-16-6(7)3/h4-5,8H,1-3H3,(H,12,13)(H,14,15)
InChIKeyPPXMOJKDLCIVDJ-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.82
Rot. Bonds4

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

3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid (PubChem CID 16771650) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid
PubChem CID16771650
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid
SMILESCc1oncc1C(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H14N2O4/c1-5(2)8(10(14)15)12-9(13)7-4-11-16-6(7)3/h4-5,8H,1-3H3,(H,12,13)(H,14,15)
InChIKeyPPXMOJKDLCIVDJ-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-methyl-1,2-oxazole-4-carboxamide
CID 3358009
N-isopropyl-5-methyl-4-isoxazolecarboxamide
CID 1477707
2-[(5-Methyl-1,2-oxazol-4-yl)formamido]propanoic acid
CID 16771058
N-(2-fluoroethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 53757803
N-(3-methylbutyl)-5-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 54291087
2-[(5-Methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258050
3,3,3-Trifluoro-2-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 79792291
5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)-1,2-oxazole-4-carboxamide
CID 105648708
N-(3,3-difluoro-2-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 105649079
N-(2-cyclopropyl-2-hydroxypropyl)-5-methylisoxazole-4-carboxamide
CID 71806257
5-[(5-Methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 15007130
Ethyl N-(5-methyl-1,2-oxazole-4-carbonyl)-beta-alaninate
CID 15007131

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid?
The IUPAC name of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid (CID 16771650) is 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid is Cc1oncc1C(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid?
The InChIKey is PPXMOJKDLCIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-5(2)8(10(14)15)12-9(13)7-4-11-16-6(7)3/h4-5,8H,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid?
3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 16771650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).