tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate

C17H30N2O4 — CID 102559856

IUPACtert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCCC1C(=O)N1CC(O)C1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)18-14-9-7-5-4-6-8-13(14)15(21)19-10-12(20)11-19/h12-14,20H,4-11H2,1-3H3,(H,18,22)
InChIKeyIZAUJEZEYAPJLI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.05
Rot. Bonds2

About tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate

tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate (PubChem CID 102559856) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
PubChem CID102559856
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Nametert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCCCC1C(=O)N1CC(O)C1
InChIInChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)18-14-9-7-5-4-6-8-13(14)15(21)19-10-12(20)11-19/h12-14,20H,4-11H2,1-3H3,(H,18,22)
InChIKeyIZAUJEZEYAPJLI-UHFFFAOYSA-N
XLogP2.05
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
tert-butyl N-[(1R,2R)-2-(1,1-dioxo-1,4-thiazinane-4-carbonyl)cyclopentyl]carbamate
CID 99809956
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 20614154
tert-butyl N-[(1R,2S)-2-(propan-2-ylcarbamoyl)cycloheptyl]carbamate
CID 95975128
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
ethyl 2-[1-[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]piperidin-4-yl]acetate
CID 67036333
trans-methyl (1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 11287994
tert-butyl N-[(1S,2R)-2-[(1R,3S,5R)-3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-azabicyclo[3.1.0]hexane-2-carbonyl]cyclopentyl]carbamate
CID 171676510
tert-butyl N-[2-(2-bromoacetyl)cyclohexyl]carbamate
CID 104701400
tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate
CID 70194445
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate (CID 102559856) is tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate is CC(C)(C)OC(=O)NC1CCCCCCC1C(=O)N1CC(O)C1.
What is the InChIKey of tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate?
The InChIKey is IZAUJEZEYAPJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-17(2,3)23-16(22)18-14-9-7-5-4-6-8-13(14)15(21)19-10-12(20)11-19/h12-14,20H,4-11H2,1-3H3,(H,18,22).
What are the key properties of tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate?
tert-butyl N-[2-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 2.05, 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-(3-hydroxyazetidine-1-carbonyl)cyclooctyl]carbamate is sourced from PubChem (CID 102559856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).