3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid

C15H24N2O4 — CID 60827139

IUPAC3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(20)17(15(4,5)6)8-7-11(18)19/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyIEYDOKXHXBVUMK-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds5

About 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid

3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 60827139) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID60827139
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCc1noc(C(C)C)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(20)17(15(4,5)6)8-7-11(18)19/h9H,7-8H2,1-6H3,(H,18,19)
InChIKeyIEYDOKXHXBVUMK-UHFFFAOYSA-N
XLogP2.82
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-4-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 62041995
3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60825607
2-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265074
2-hydroxy-2-methyl-3-[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 66173602
N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 134005900
N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 113248560
3-methyl-2-[[(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]methyl]butanoic acid
CID 65219995
3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid
CID 62685999
N-(1-hydroxy-2-methylpropan-2-yl)-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43500671
3-methyl-5-propan-2-yl-N-propyl-1,2-oxazole-4-carboxamide
CID 60667713
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 110632729
N-(2-hydroxyethyl)-3-methyl-5-propan-2-yl-N-prop-2-enyl-1,2-oxazole-4-carboxamide
CID 113340602

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 60827139) is 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid is Cc1noc(C(C)C)c1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is IEYDOKXHXBVUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-9(2)13-12(10(3)16-21-13)14(20)17(15(4,5)6)8-7-11(18)19/h9H,7-8H2,1-6H3,(H,18,19).
What are the key properties of 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 296.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60827139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).