tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate

C11H20N4O3 — CID 151269227

IUPACtert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1N=[N+]=[N-]
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)13-8-5-4-7(16)6-9(8)14-15-12/h7-9,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyNVZOTGKZUFFERQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.10
Rot. Bonds2

About tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate

tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate (PubChem CID 151269227) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
PubChem CID151269227
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Nametert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(O)CC1N=[N+]=[N-]
InChIInChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)13-8-5-4-7(16)6-9(8)14-15-12/h7-9,16H,4-6H2,1-3H3,(H,13,17)
InChIKeyNVZOTGKZUFFERQ-UHFFFAOYSA-N
XLogP2.10
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1R,3S,4S)-3-azido-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 58822143
cis-(3S,4R)-3-azido-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 170910638
methyl (1R,2R,4S,5S)-5-azido-2,4-bis[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 101494409
tert-butyl N-[(1R,2S,5R)-2-azido-5-(dimethylcarbamoyl)cyclohexyl]carbamate
CID 124647327
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
cis-ethyl (1R,3S)-4-azido-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 129265116
ethyl (1S,3R,4S)-4-azido-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 57416168
tert-butyl N-[(1S,2R,3S,5S)-2-azido-3-bicyclo[3.1.0]hexanyl]carbamate
CID 121422157
tert-butyl N-[2-(diethylamino)-4-hydroxycyclohexyl]carbamate
CID 165497934
tert-butyl N-[(1R,2S,3S,4R)-2-azido-3-hydroxy-4-(hydroxymethyl)cyclopentyl]carbamate
CID 102168738
ethyl (1S,2R,3R,4R)-4-azido-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 23658907
tert-butyl N-[(4R,5R)-4,5-bis(azidomethyl)-2-hydroxycyclohexyl]carbamate
CID 25215650

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate (CID 151269227) is tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCC(O)CC1N=[N+]=[N-].
What is the InChIKey of tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate?
The InChIKey is NVZOTGKZUFFERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-11(2,3)18-10(17)13-8-5-4-7(16)6-9(8)14-15-12/h7-9,16H,4-6H2,1-3H3,(H,13,17).
What are the key properties of tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate?
tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate has a molecular weight of 256.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-azido-4-hydroxycyclohexyl)carbamate is sourced from PubChem (CID 151269227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).