tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate

C16H23NO4 — CID 83224734

IUPACtert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate
SMILESCCOc1ccc(C(=O)CC(N)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-20-12-8-6-11(7-9-12)14(18)10-13(17)15(19)21-16(2,3)4/h6-9,13H,5,10,17H2,1-4H3
InChIKeyAMUUZRAFGDAIOC-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.33
Rot. Bonds6

About tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate

tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate (PubChem CID 83224734) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate
PubChem CID83224734
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Nametert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate
SMILESCCOc1ccc(C(=O)CC(N)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-20-12-8-6-11(7-9-12)14(18)10-13(17)15(19)21-16(2,3)4/h6-9,13H,5,10,17H2,1-4H3
InChIKeyAMUUZRAFGDAIOC-UHFFFAOYSA-N
XLogP2.33
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate 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

(2R)-2-amino-4-(4-ethoxyphenyl)-4-oxobutanoic acid
CID 720517
4-amino-1-(4-ethoxyphenyl)-3-methylbutan-1-one
CID 116596464
1-(4-ethoxyphenyl)-3-methylpentan-1-one
CID 13257676
4-amino-1-(4-ethoxyphenyl)pentan-1-one
CID 116571550
5-(4-ethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 24727207
tert-butyl 2-(aminomethyl)-3-(4-ethoxyphenyl)propanoate
CID 103522430
tert-butyl 5-(4-methoxyphenyl)-2,3-dimethyl-5-oxopentanoate
CID 73073742
tert-butyl (2S)-2-amino-3-phenoxypropanoate
CID 163342114
3-amino-5,5-dimethyl-1-(4-propan-2-yloxyphenyl)hexan-1-one
CID 116614614
tert-butyl (2R)-2-amino-3-[4-(fluoromethoxy)phenyl]propanoate
CID 71164693
1,8-bis(4-ethoxyphenyl)octane-1,8-dione
CID 3098381
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate?
The IUPAC name of tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate (CID 83224734) is tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate.
What is the SMILES notation for tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate?
The canonical SMILES for tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate is CCOc1ccc(C(=O)CC(N)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate?
The InChIKey is AMUUZRAFGDAIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-12-8-6-11(7-9-12)14(18)10-13(17)15(19)21-16(2,3)4/h6-9,13H,5,10,17H2,1-4H3.
What are the key properties of tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate?
tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate has a molecular weight of 293.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(4-ethoxyphenyl)-4-oxobutanoate is sourced from PubChem (CID 83224734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).