tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate

C11H22N2O3 — CID 70952812

IUPACtert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H](O)[C@@H]1N
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-8(14)9(7)12/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9-/m1/s1
InChIKeyZAGYHLVELOMOSN-HRDYMLBCSA-N
MW230.31 g/mol
LogP0.75
Rot. Bonds1

About tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate

tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate (PubChem CID 70952812) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
PubChem CID70952812
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H](O)[C@@H]1N
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-8(14)9(7)12/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9-/m1/s1
InChIKeyZAGYHLVELOMOSN-HRDYMLBCSA-N
XLogP0.75
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R,3E)-2-aminocyclooct-3-en-1-yl]carbamate
CID 118458947
tert-butyl N-[(1R,2S)-2-aminooxycyclopentyl]carbamate
CID 129395964
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
(2-amino-3-hydroxycyclohexyl)carbamic acid
CID 122516503
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2S)-2-formylcyclopentyl]carbamate
CID 96612570

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate (CID 70952812) is tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](O)[C@@H]1N.
What is the InChIKey of tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate?
The InChIKey is ZAGYHLVELOMOSN-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-5-4-6-8(14)9(7)12/h7-9,14H,4-6,12H2,1-3H3,(H,13,15)/t7-,8+,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate?
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate has a molecular weight of 230.31 g/mol, XLogP of 0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate is sourced from PubChem (CID 70952812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).