3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid

C13H20N2O4 — CID 119190915

IUPAC3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C13H20N2O4/c1-5-15(7-6-11(16)17)12(18)9-8-10(19-14-9)13(2,3)4/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyXODLTPHKTJHOOD-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.91
Rot. Bonds5

About 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid

3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid (PubChem CID 119190915) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
PubChem CID119190915
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)c1cc(C(C)(C)C)on1
InChIInChI=1S/C13H20N2O4/c1-5-15(7-6-11(16)17)12(18)9-8-10(19-14-9)13(2,3)4/h8H,5-7H2,1-4H3,(H,16,17)
InChIKeyXODLTPHKTJHOOD-UHFFFAOYSA-N
XLogP1.91
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]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

3-[ethyl-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]propanoic acid
CID 61008615
1-(5-tert-butyl-1,2-oxazol-3-yl)butan-1-one
CID 157374437
3-[ethyl(2H-triazole-4-carbonyl)amino]propanoic acid
CID 63283146
N-(2-bromoethyl)-N-ethyl-5-methyl-1,2-oxazole-3-carboxamide
CID 80660169
2-[(5-tert-butyl-1,2-oxazole-3-carbonyl)amino]-2-methylbutanoic acid
CID 119198963
3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
3-[[4-(diethylcarbamoyl)benzoyl]-ethylamino]propanoic acid
CID 120685979
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
3-[ethyl-(3-ethyl-6-methylpyridazine-4-carbonyl)amino]propanoic acid
CID 104669492
3-[[2-(5-chlorothiophen-2-yl)-1,3-thiazole-4-carbonyl]-ethylamino]propanoic acid
CID 119191125
3-[ethyl(quinoxaline-2-carbonyl)amino]propanoic acid
CID 61007107
3-[methyl-(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 20586201

Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid?
The IUPAC name of 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid (CID 119190915) is 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid.
What is the SMILES notation for 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid?
The canonical SMILES for 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)c1cc(C(C)(C)C)on1.
What is the InChIKey of 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid?
The InChIKey is XODLTPHKTJHOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-5-15(7-6-11(16)17)12(18)9-8-10(19-14-9)13(2,3)4/h8H,5-7H2,1-4H3,(H,16,17).
What are the key properties of 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid?
3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid has a molecular weight of 268.31 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-1,2-oxazole-3-carbonyl)-ethylamino]propanoic acid is sourced from PubChem (CID 119190915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).