tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate

C16H25NO3 — CID 97086612

IUPACtert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
SMILESC[C@@H](O)C[C@H](CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-12(18)10-14(13-8-6-5-7-9-13)11-17-15(19)20-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyYQEIZJSTYNVLIR-TZMCWYRMSA-N
MW279.38 g/mol
LogP3.07
Rot. Bonds5

About tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate

tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate (PubChem CID 97086612) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
PubChem CID97086612
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nametert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
SMILESC[C@@H](O)C[C@H](CNC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C16H25NO3/c1-12(18)10-14(13-8-6-5-7-9-13)11-17-15(19)20-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m1/s1
InChIKeyYQEIZJSTYNVLIR-TZMCWYRMSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
tert-butyl N-[2-(1-phenylethylamino)propyl]carbamate
CID 103386957
4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
N-(4-hydroxy-2-phenylpentyl)-4-(methylamino)butanamide;hydrochloride
CID 119821967
4-phenylheptane-2,6-diol
CID 173150769
tert-butyl N-[2-[(2-methyl-1-phenylpropyl)amino]ethyl]carbamate
CID 115606965
chloromethyl 2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenylbutanoate
CID 142462213
tert-butyl N-(4-amino-3-hydroxy-2-phenyl-4-sulfanylidenebutyl)carbamate
CID 174367190
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
CID 11231294
tert-butyl N-[3-(methoxyamino)-3-oxo-2-phenylpropyl]carbamate
CID 57222453
3-(2-hydroxyphenyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 167714337

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate?
The IUPAC name of tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate (CID 97086612) is tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate is C[C@@H](O)C[C@H](CNC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate?
The InChIKey is YQEIZJSTYNVLIR-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12(18)10-14(13-8-6-5-7-9-13)11-17-15(19)20-16(2,3)4/h5-9,12,14,18H,10-11H2,1-4H3,(H,17,19)/t12-,14-/m1/s1.
What are the key properties of tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate?
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate has a molecular weight of 279.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate is sourced from PubChem (CID 97086612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).