tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate

C14H21NO3 — CID 71307394

IUPACtert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate
SMILESCC(C)(C)OC(=O)[C@](N)(CCO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-13(2,3)18-12(17)14(15,9-10-16)11-7-5-4-6-8-11/h4-8,16H,9-10,15H2,1-3H3/t14-/m0/s1
InChIKeyJTRMOZQMJWGMJG-AWEZNQCLSA-N
MW251.33 g/mol
LogP1.56
Rot. Bonds4

About tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate

tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate (PubChem CID 71307394) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate
PubChem CID71307394
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nametert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate
SMILESCC(C)(C)OC(=O)[C@](N)(CCO)c1ccccc1
InChIInChI=1S/C14H21NO3/c1-13(2,3)18-12(17)14(15,9-10-16)11-7-5-4-6-8-11/h4-8,16H,9-10,15H2,1-3H3/t14-/m0/s1
InChIKeyJTRMOZQMJWGMJG-AWEZNQCLSA-N
XLogP1.56
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-amino-4-methylsulfonyloxy-2-phenylbutanoate
CID 87270659
tert-butyl 2-amino-3-methylsulfonyl-2-phenylpropanoate
CID 67941966
tert-butyl (2R)-2-amino-3-hydroxy-2-(4-phenylmethoxyphenyl)propanoate
CID 174448640
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
tert-butyl 2-amino-3-oxo-2-phenylpropanoate
CID 154963550
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
3-amino-2-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxo-3-phenylbutanoic acid
CID 77323942
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
3-O-benzyl 1-O-tert-butyl 2-amino-2-(3-hydroxypropyl)propanedioate
CID 175248358
3-amino-3-(4-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 66921479
benzoic acid;tert-butyl 2-amino-2-methylpropanoate
CID 175229994
3-amino-3-(3-methoxyphenyl)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 91405046

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate?
The IUPAC name of tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate (CID 71307394) is tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate is CC(C)(C)OC(=O)[C@](N)(CCO)c1ccccc1.
What is the InChIKey of tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate?
The InChIKey is JTRMOZQMJWGMJG-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO3/c1-13(2,3)18-12(17)14(15,9-10-16)11-7-5-4-6-8-11/h4-8,16H,9-10,15H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate?
tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate has a molecular weight of 251.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-4-hydroxy-2-phenylbutanoate is sourced from PubChem (CID 71307394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).