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

C14H22N2O4 — CID 60825607

IUPAC3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCCc1noc(C)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H22N2O4/c1-6-10-12(9(2)20-15-10)13(19)16(14(3,4)5)8-7-11(17)18/h6-8H2,1-5H3,(H,17,18)
InChIKeyGRIIUOIUODSGQG-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.26
Rot. Bonds5

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

3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (PubChem CID 60825607) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
PubChem CID60825607
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
SMILESCCc1noc(C)c1C(=O)N(CCC(=O)O)C(C)(C)C
InChIInChI=1S/C14H22N2O4/c1-6-10-12(9(2)20-15-10)13(19)16(14(3,4)5)8-7-11(17)18/h6-8H2,1-5H3,(H,17,18)
InChIKeyGRIIUOIUODSGQG-UHFFFAOYSA-N
XLogP2.26
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62818954
3-[tert-butyl-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60827139
N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
CID 54997668
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990361
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 115771797
3-[tert-butyl-(4-ethylthiadiazole-5-carbonyl)amino]propanoic acid
CID 65206032
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
(2S)-2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]pentanedioic acid
CID 61151729
N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47417059

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid (CID 60825607) is 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is CCc1noc(C)c1C(=O)N(CCC(=O)O)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
The InChIKey is GRIIUOIUODSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-6-10-12(9(2)20-15-10)13(19)16(14(3,4)5)8-7-11(17)18/h6-8H2,1-5H3,(H,17,18).
What are the key properties of 3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid?
3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.26, 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-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60825607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).