tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate

C12H23NO3 — CID 163838618

IUPACtert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-9-5-4-6-10(14)7-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyOJYZYWNWTHPMGT-UWVGGRQHSA-N
MW229.32 g/mol
LogP2.06
Rot. Bonds2

About tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate

tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate (PubChem CID 163838618) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate
PubChem CID163838618
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1CCC[C@H](O)C1
InChIInChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-9-5-4-6-10(14)7-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1
InChIKeyOJYZYWNWTHPMGT-UWVGGRQHSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

cis-4-(tert-Butoxycarbonylamino)cyclohexanol
CID 1514287
(S)-(-)-2-(tert-Butoxycarbonylamino)-3-cyclohexyl-1-propanol
CID 11043405
tert-Butyl ((4-hydroxycyclohexyl)methyl)carbamate
CID 25417625
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
N-Boc-D-cyclohexylglycinol
CID 12194289
tert-butyl N-{[2-(hydroxymethyl)cyclohexyl]methyl}carbamate
CID 22106786
tert-butyl N-[3-(hydroxymethyl)cyclohexyl]carbamate
CID 22106830
rac-tert-butyl N-[(1R,3S)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 24720926
Cis-(2-Hydroxymethyl-Cyclohexyl)-Carbamic Acid Tert-Butyl Ester
CID 54488680
tert-butyl N-[(2-hydroxycyclopentyl)methyl]carbamate
CID 54595768

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate (CID 163838618) is tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](O)C1.
What is the InChIKey of tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate?
The InChIKey is OJYZYWNWTHPMGT-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)16-11(15)13-8-9-5-4-6-10(14)7-9/h9-10,14H,4-8H2,1-3H3,(H,13,15)/t9-,10-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate?
tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,3S)-3-hydroxycyclohexyl]methyl]carbamate is sourced from PubChem (CID 163838618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).