2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid

C11H16N2O4 — CID 110835201

IUPAC2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C(=O)N(C)C(C)(C)C(=O)O)oc1C
InChIInChI=1S/C11H16N2O4/c1-6-7(2)17-8(12-6)9(14)13(5)11(3,4)10(15)16/h1-5H3,(H,15,16)
InChIKeyPQSMXZMLRUQFSB-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.23
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid

2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 110835201) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID110835201
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C(=O)N(C)C(C)(C)C(=O)O)oc1C
InChIInChI=1S/C11H16N2O4/c1-6-7(2)17-8(12-6)9(14)13(5)11(3,4)10(15)16/h1-5H3,(H,15,16)
InChIKeyPQSMXZMLRUQFSB-UHFFFAOYSA-N
XLogP1.23
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid (CID 110835201) is 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1nc(C(=O)N(C)C(C)(C)C(=O)O)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is PQSMXZMLRUQFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-6-7(2)17-8(12-6)9(14)13(5)11(3,4)10(15)16/h1-5H3,(H,15,16).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 240.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazole-2-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 110835201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).