tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate

C15H23NO4 — CID 71433233

IUPACtert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
SMILESCC(C)(C)OC(=O)[C@@H](O)C(N)COCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)13(17)12(16)10-19-9-11-7-5-4-6-8-11/h4-8,12-13,17H,9-10,16H2,1-3H3/t12?,13-/m0/s1
InChIKeyOJAUTDVRAWADQF-ABLWVSNPSA-N
MW281.35 g/mol
LogP1.23
Rot. Bonds6

About tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate

tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate (PubChem CID 71433233) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
PubChem CID71433233
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nametert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate
SMILESCC(C)(C)OC(=O)[C@@H](O)C(N)COCc1ccccc1
InChIInChI=1S/C15H23NO4/c1-15(2,3)20-14(18)13(17)12(16)10-19-9-11-7-5-4-6-8-11/h4-8,12-13,17H,9-10,16H2,1-3H3/t12?,13-/m0/s1
InChIKeyOJAUTDVRAWADQF-ABLWVSNPSA-N
XLogP1.23
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate 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

tert-butyl (2R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 68838007
tert-butyl (2S,3R)-3-amino-2-hydroxy-4-phenylbutanoate
CID 7021090
tert-butyl (2R)-2-(phenylmethoxymethyl)butanoate
CID 134963822
acetic acid;tert-butyl (2S,3S)-3-amino-2-hydroxy-4-phenylbutanoate
CID 162225778
4-O-benzyl 1-O-tert-butyl 2-amino-3-hydroxybutanedioate
CID 167202522
(2R,3S)-3-amino-1,4-bis(phenylmethoxy)butan-2-ol
CID 10881156
2-amino-4,4-dimethyl-1-phenylmethoxypentan-3-one
CID 142227491
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl]-N-methylcarbamate
CID 69221436
3-amino-3-methyl-1-phenylmethoxybutan-2-ol
CID 67509552
3-amino-4-phenylmethoxybutan-2-one
CID 3355727
(2S)-2-amino-3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]oxypropanoic acid
CID 57119770

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate?
The IUPAC name of tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate (CID 71433233) is tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate.
What is the SMILES notation for tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate?
The canonical SMILES for tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate is CC(C)(C)OC(=O)[C@@H](O)C(N)COCc1ccccc1.
What is the InChIKey of tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate?
The InChIKey is OJAUTDVRAWADQF-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(2,3)20-14(18)13(17)12(16)10-19-9-11-7-5-4-6-8-11/h4-8,12-13,17H,9-10,16H2,1-3H3/t12?,13-/m0/s1.
What are the key properties of tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate?
tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate has a molecular weight of 281.35 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-3-amino-2-hydroxy-4-phenylmethoxybutanoate is sourced from PubChem (CID 71433233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).