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

C13H18N2O4 — CID 120518882

IUPAC2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-7-9(19-10(14-7)8-5-6-8)11(16)15(4)13(2,3)12(17)18/h8H,5-6H2,1-4H3,(H,17,18)
InChIKeyFHETXZZVDLSQNB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.80
Rot. Bonds4

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

2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 120518882) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID120518882
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCc1nc(C2CC2)oc1C(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-7-9(19-10(14-7)8-5-6-8)11(16)15(4)13(2,3)12(17)18/h8H,5-6H2,1-4H3,(H,17,18)
InChIKeyFHETXZZVDLSQNB-UHFFFAOYSA-N
XLogP1.80
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid (CID 120518882) is 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid is Cc1nc(C2CC2)oc1C(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is FHETXZZVDLSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-9(19-10(14-7)8-5-6-8)11(16)15(4)13(2,3)12(17)18/h8H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid?
2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopropyl-4-methyl-1,3-oxazole-5-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 120518882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).