tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate

C12H23NO3 — CID 154537617

IUPACtert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
SMILESC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C12H23NO3/c1-8-5-6-9(10(14)7-8)13-11(15)16-12(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t8-,9+,10+/m1/s1
InChIKeyCSZMGMDQDFAWIP-UTLUCORTSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds1

About tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate

tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate (PubChem CID 154537617) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
PubChem CID154537617
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate
SMILESC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1
InChIInChI=1S/C12H23NO3/c1-8-5-6-9(10(14)7-8)13-11(15)16-12(2,3)4/h8-10,14H,5-7H2,1-4H3,(H,13,15)/t8-,9+,10+/m1/s1
InChIKeyCSZMGMDQDFAWIP-UTLUCORTSA-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

Analyze tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
cis-methyl (1S,2R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57132586
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2S,4S)-4-hydroxy-2-methylcyclopentyl]carbamate
CID 141291381
tert-butyl N-[(1R,4S)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263188
tert-butyl N-[(1R,3R)-3-hydroxy-4-methylcyclohexyl]carbamate
CID 118263190
trans-(3S,4S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 70039647
tert-butyl N-[(1R)-2-[(3-methylcyclopentanecarbonyl)amino]cyclohexyl]carbamate
CID 158963051
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate (CID 154537617) is tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate is C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C1.
What is the InChIKey of tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate?
The InChIKey is CSZMGMDQDFAWIP-UTLUCORTSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8-5-6-9(10(14)7-8)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-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate?
tert-butyl N-[(1S,2S,4R)-2-hydroxy-4-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-[(1S,2S,4R)-2-hydroxy-4-methylcyclohexyl]carbamate is sourced from PubChem (CID 154537617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).