tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate

C17H27NO3 — CID 10891701

IUPACtert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CCCc1ccccc1
InChIInChI=1S/C17H27NO3/c1-13(18-16(20)21-17(2,3)4)15(19)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15,19H,8,11-12H2,1-4H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyJTRRLNDNZPNTKL-ZFWWWQNUSA-N
MW293.41 g/mol
LogP3.28
Rot. Bonds6

About tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate

tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate (PubChem CID 10891701) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
PubChem CID10891701
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CCCc1ccccc1
InChIInChI=1S/C17H27NO3/c1-13(18-16(20)21-17(2,3)4)15(19)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15,19H,8,11-12H2,1-4H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyJTRRLNDNZPNTKL-ZFWWWQNUSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-5-phenylpentan-2-yl]carbamate
CID 174720496
tert-butyl N-[(2R,3S)-3-hydroxy-4-phenylbutan-2-yl]carbamate
CID 96581873
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 2761801
tert-butyl N-(2-hydroxy-5-phenylpentyl)carbamate
CID 90776674
tert-butyl N-[(2S,3S,6R,7S)-3,6-dihydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]octan-2-yl]carbamate
CID 11079337
tert-butyl N-(3-hydroxy-1,6-diphenylhexyl)carbamate
CID 19963746
3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
CID 71245585
tert-butyl N-[(4R,5S,6S)-4,5-dihydroxy-2-methyl-14-phenyltetradecan-6-yl]carbamate
CID 10048621
tert-butyl N-(1,6-diphenylhexan-2-yl)carbamate
CID 57094161
tert-butyl N-[(2S)-15-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypentadecan-2-yl]carbamate
CID 162511256
tert-butyl N-[(2S)-1-(tert-butylamino)-1-oxo-4-phenylbutan-2-yl]carbamate
CID 90371301
tert-butyl N-[(3R)-5-methyl-1-phenylhexan-3-yl]carbamate
CID 102586940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate (CID 10891701) is tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)CCCc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate?
The InChIKey is JTRRLNDNZPNTKL-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H27NO3/c1-13(18-16(20)21-17(2,3)4)15(19)12-8-11-14-9-6-5-7-10-14/h5-7,9-10,13,15,19H,8,11-12H2,1-4H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate?
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate has a molecular weight of 293.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate is sourced from PubChem (CID 10891701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).