tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate

C15H29NO3 — CID 42643137

IUPACtert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate
SMILESC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyQUKBWHIUFAQUPT-AAEUAGOBSA-N
MW271.40 g/mol
LogP3.09
Rot. Bonds4

About tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate

tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate (PubChem CID 42643137) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate
PubChem CID42643137
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate
SMILESC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1
InChIInChI=1S/C15H29NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyQUKBWHIUFAQUPT-AAEUAGOBSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-Butyl ((4-hydroxycyclohexyl)methyl)carbamate
CID 25417625
tert-butyl N-((3R)-1-hydroxy-5-methylhexan-3-yl)carbamate
CID 57791089
tert-butyl [(1R,2R)-2-(hydroxymethyl)cyclohexyl]carbamate
CID 59007582
N-Boc-L-cyclohexylglycinol
CID 16217740
tert-butyl N-((2-hydroxycyclohexyl)methyl)carbamate
CID 54595030
(2S,3R,4S)-2-[(tert-Butyloxycarbonyl)amino]-1-cyclohexyl-3,4-dihydroxy-6-methylheptane
CID 9974740
tert-Butyl 1-cyclobutyl-3-hydroxypropan-2-ylcarbamate
CID 11458859
tert-butyl N-[6-(hydroxymethyl)spiro[3.3]heptan-2-yl]carbamate
CID 10421820
Rac-tert-butyl ((1s,4s)-4-(hydroxymethyl)cyclohexyl)carbamate
CID 10513598
N-Boc-D-cyclohexylglycinol
CID 12194289
tert-butyl N-{[2-(hydroxymethyl)cyclohexyl]methyl}carbamate
CID 22106786

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate (CID 42643137) is tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate is C[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate?
The InChIKey is QUKBWHIUFAQUPT-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H29NO3/c1-11(10-17)13(12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h11-13,17H,5-10H2,1-4H3,(H,16,18)/t11-,13-/m0/s1.
What are the key properties of tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate?
tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-1-cyclohexyl-3-hydroxy-2-methylpropyl]carbamate is sourced from PubChem (CID 42643137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).