tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate

C17H25NO3 — CID 83224637

IUPACtert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
SMILESCc1cc(C)c(C(=O)CC(N)C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C17H25NO3/c1-10-7-11(2)15(12(3)8-10)14(19)9-13(18)16(20)21-17(4,5)6/h7-8,13H,9,18H2,1-6H3
InChIKeyANTAVXOBYHTMGH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.85
Rot. Bonds4

About tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate

tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate (PubChem CID 83224637) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
PubChem CID83224637
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate
SMILESCc1cc(C)c(C(=O)CC(N)C(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C17H25NO3/c1-10-7-11(2)15(12(3)8-10)14(19)9-13(18)16(20)21-17(4,5)6/h7-8,13H,9,18H2,1-6H3
InChIKeyANTAVXOBYHTMGH-UHFFFAOYSA-N
XLogP2.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate?
The IUPAC name of tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate (CID 83224637) is tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate.
What is the SMILES notation for tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate?
The canonical SMILES for tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate is Cc1cc(C)c(C(=O)CC(N)C(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate?
The InChIKey is ANTAVXOBYHTMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-10-7-11(2)15(12(3)8-10)14(19)9-13(18)16(20)21-17(4,5)6/h7-8,13H,9,18H2,1-6H3.
What are the key properties of tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate?
tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-oxo-4-(2,4,6-trimethylphenyl)butanoate is sourced from PubChem (CID 83224637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).