tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate

C15H23NO3 — CID 102153759

IUPACtert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
SMILESC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyWIXVUEQGJZPUQE-YPMHNXCESA-N
MW265.35 g/mol
LogP2.88
Rot. Bonds4

About tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate

tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate (PubChem CID 102153759) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
PubChem CID102153759
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate
SMILESC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1
InChIKeyWIXVUEQGJZPUQE-YPMHNXCESA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(tert-butoxycarbonylamino)-2-hydroxy-5-phenyl-pentyl]carbamate
CID 454384
tert-Butyl [4-(hydroxymethyl)benzyl]carbamate
CID 2794813
tert-butyl N-((2R)-1-hydroxy-3-phenylpropan-2-yl)carbamate
CID 7019371
1,1-Dimethylethyl N-[(1R)-1-(hydroxymethyl)-2,2-diphenylethyl]carbamate
CID 20055630
5-tert-Butyloxycarbonylamino-2-amino-3-hydroxy-1,6-diphenylhexane, (2S,3S,5S)-
CID 11997926
4-Phenyl-1,3-oxazinan-2-one
CID 12163896
[(2R)-3-methyl-1-phenylbutan-2-yl] N-[(2S)-1-hydroxyhexan-2-yl]carbamate
CID 23586136
Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester
CID 209004
3-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 2756815
(3R)-3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 7009108

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate (CID 102153759) is tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate is C[C@H](CO)[C@H](NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
The InChIKey is WIXVUEQGJZPUQE-YPMHNXCESA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)/t11-,13+/m1/s1.
What are the key properties of tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate?
tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-3-hydroxy-2-methyl-1-phenylpropyl]carbamate is sourced from PubChem (CID 102153759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).