tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate

C15H23NO3 — CID 54159083

IUPACtert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate
SMILESCCOC(c1ccccc1)[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-18-13(11-9-7-6-8-10-11)12(16)14(17)19-15(2,3)4/h6-10,12-13H,5,16H2,1-4H3/t12-,13?/m0/s1
InChIKeyONDRXNQDBDUAJF-UEWDXFNNSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate

tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate (PubChem CID 54159083) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate
PubChem CID54159083
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate
SMILESCCOC(c1ccccc1)[C@H](N)C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-5-18-13(11-9-7-6-8-10-11)12(16)14(17)19-15(2,3)4/h6-10,12-13H,5,16H2,1-4H3/t12-,13?/m0/s1
InChIKeyONDRXNQDBDUAJF-UEWDXFNNSA-N
XLogP2.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate 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

(3S)-3-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-phenylbutanoic acid
CID 122198711
ethyl (2S,3R)-2,3-diethoxy-3-phenylpropanoate
CID 91748652
tert-butyl 2-amino-3-phenylpent-4-enoate
CID 154715254
tert-butyl 3-methyl-2-phenylpentanoate
CID 63896641
ditert-butyl 2-[(1R,2S)-1-hydroxy-2-phenyl-2-phenylmethoxyethyl]propanedioate
CID 10972261
4-O-tert-butyl 1-O-methyl 2-amino-3-phenylbutanedioate
CID 78069765
(3R,6S)-1,8-diethoxy-2,3,6,7-tetrahydroxy-1,8-diphenyloctane-4,5-dione
CID 54296354
4-O-benzyl 1-O-tert-butyl 2-amino-3-hydroxybutanedioate
CID 167202522
2-ethoxy-1,2-diphenylethanol
CID 3767197
(2-ethoxy-1,2-diphenylethyl)hydrazine
CID 105279207
tert-butyl 2-amino-2-ethoxyacetate
CID 151650048
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate (CID 54159083) is tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate is CCOC(c1ccccc1)[C@H](N)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate?
The InChIKey is ONDRXNQDBDUAJF-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-13(11-9-7-6-8-10-11)12(16)14(17)19-15(2,3)4/h6-10,12-13H,5,16H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate?
tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-3-ethoxy-3-phenylpropanoate is sourced from PubChem (CID 54159083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).