tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate

C11H21NO3 — CID 14249472

IUPACtert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyXVROWZPERFUOCE-BDAKNGLRSA-N
MW215.29 g/mol
LogP1.81
Rot. Bonds1

About tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate

tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate (PubChem CID 14249472) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate
PubChem CID14249472
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nametert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyXVROWZPERFUOCE-BDAKNGLRSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate (CID 14249472) is tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate?
The InChIKey is XVROWZPERFUOCE-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)15-10(14)12-8-6-4-5-7-9(8)13/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate?
tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate has a molecular weight of 215.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 14249472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).