2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid

C11H16N2O4 — CID 110836158

IUPAC2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid
SMILESCc1coc(CC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-7-6-17-8(12-7)5-9(14)13(4)11(2,3)10(15)16/h6H,5H2,1-4H3,(H,15,16)
InChIKeyVNLXGBKYMLGFNB-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.85
Rot. Bonds4

About 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid (PubChem CID 110836158) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid
PubChem CID110836158
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid
SMILESCc1coc(CC(=O)N(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C11H16N2O4/c1-7-6-17-8(12-7)5-9(14)13(4)11(2,3)10(15)16/h6H,5H2,1-4H3,(H,15,16)
InChIKeyVNLXGBKYMLGFNB-UHFFFAOYSA-N
XLogP0.85
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-((Tert-butoxy)carbonyl)azetidin-3-yl)-1,3-oxazole-4-carboxylic acid
CID 129052206
2-[4-(Fluoromethyl)-1,3-oxazol-2-yl]acetic acid
CID 84764057
2-[4-(Fluoromethyl)-1,3-oxazol-2-yl]propanoic acid
CID 84766362
2-[4-(Fluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid
CID 84770268
2-[4-(Difluoromethyl)-1,3-oxazol-2-yl]-2-methylpropanoic acid
CID 84778164
2-Fluoro-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
CID 115012423
2-(4-Methyl-1,3-oxazol-2-yl)acetic acid
CID 21873099
Tert-butyl 3-[4-(dihydroxymethyl)-1,3-oxazol-2-yl]azetidine-1-carboxylate
CID 129067369
Tert-butyl 3-(4-methyl-1,3-oxazol-2-yl)azetidine-1-carboxylate
CID 159561764
2-[3-Methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 178528747
Methyl (R)-3-amino-2-(4-methyloxazol-2-yl)propanoate
CID 72233536
2-Amino-2-(4-methyl-1,3-oxazol-2-yl)acetic acid
CID 82416208

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid (CID 110836158) is 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid is Cc1coc(CC(=O)N(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid?
The InChIKey is VNLXGBKYMLGFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-6-17-8(12-7)5-9(14)13(4)11(2,3)10(15)16/h6H,5H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 110836158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).