tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate

C12H23NO3 — CID 69148227

IUPACtert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate
SMILESC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1O
InChIInChI=1S/C12H23NO3/c1-8-7-9(5-6-10(8)14)13-11(15)16-12(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t8-,9-,10-/m1/s1
InChIKeySZVLDQVHEROQDA-OPRDCNLKSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds1

About tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate

tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate (PubChem CID 69148227) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate
PubChem CID69148227
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate
SMILESC[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1O
InChIInChI=1S/C12H23NO3/c1-8-7-9(5-6-10(8)14)13-11(15)16-12(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t8-,9-,10-/m1/s1
InChIKeySZVLDQVHEROQDA-OPRDCNLKSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.06
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,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate (CID 69148227) is tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate is C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1O.
What is the InChIKey of tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate?
The InChIKey is SZVLDQVHEROQDA-OPRDCNLKSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-7-9(5-6-10(8)14)13-11(15)16-12(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t8-,9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate?
tert-butyl N-[(1R,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 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,3R,4R)-4-hydroxy-3-methylcyclohexyl]carbamate is sourced from PubChem (CID 69148227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).