tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate

C11H23NO3 — CID 87514848

IUPACtert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
SMILESCCCC(O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-6-7-9(13)8(2)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9?/m0/s1
InChIKeyWXHWPTOADMDLTA-IENPIDJESA-N
MW217.31 g/mol
LogP2.06
Rot. Bonds4

About tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate

tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate (PubChem CID 87514848) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
PubChem CID87514848
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Nametert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate
SMILESCCCC(O)[C@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-6-7-9(13)8(2)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9?/m0/s1
InChIKeyWXHWPTOADMDLTA-IENPIDJESA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S,3R)-3-hydroxyhexan-2-yl]carbamate
CID 88613419
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-[(2S,3S)-3-hydroxypentan-2-yl]carbamate;ethane;molecular hydrogen
CID 144591557
S-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl] ethanethioate
CID 85393804
tert-butyl N-[(2R)-3-methylbutan-2-yl]carbamate
CID 11014358
tert-butyl N-[(2S,3S)-3-hydroxy-6-phenylhexan-2-yl]carbamate
CID 10891701
tert-butyl N-[(2R)-heptan-2-yl]carbamate
CID 25171533
tert-butyl N-[(2S,3S)-2-hydroxyheptan-3-yl]carbamate
CID 23243729
tert-butyl N-[(2S)-1-oxopentan-2-yl]carbamate
CID 10262225
3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 17039381
tert-butyl N-[3-(butan-2-ylamino)butan-2-yl]carbamate
CID 130573926
tert-butyl N-(1-iodopentan-2-yl)carbamate
CID 130004386

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate (CID 87514848) is tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate is CCCC(O)[C@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate?
The InChIKey is WXHWPTOADMDLTA-IENPIDJESA-N. The full InChI is InChI=1S/C11H23NO3/c1-6-7-9(13)8(2)12-10(14)15-11(3,4)5/h8-9,13H,6-7H2,1-5H3,(H,12,14)/t8-,9?/m0/s1.
What are the key properties of tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate?
tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate has a molecular weight of 217.31 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-hydroxyhexan-2-yl]carbamate is sourced from PubChem (CID 87514848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).