tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate

C12H23NO4 — CID 138695042

IUPACtert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(OCCO)C1
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13(4)9-7-10(8-9)16-6-5-14/h9-10,14H,5-8H2,1-4H3
InChIKeyOCPGBQGCYPPTFY-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.39
Rot. Bonds4

About tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate

tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate (PubChem CID 138695042) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
PubChem CID138695042
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(OCCO)C1
InChIInChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13(4)9-7-10(8-9)16-6-5-14/h9-10,14H,5-8H2,1-4H3
InChIKeyOCPGBQGCYPPTFY-UHFFFAOYSA-N
XLogP1.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-hept-6-enoxycyclobutyl)-N-methylcarbamate
CID 178156081
4-[2-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxyethyl]piperazine-1-carboxylic acid
CID 138695041
tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl (2R,6S)-4-(2-hydroxyethoxy)-2,6-dimethylpiperidine-1-carboxylate
CID 150912932
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-[4-(3-bromopropoxy)cyclohexyl]-N-methylcarbamate
CID 69199156
tert-butyl N-[2-[4-(2-hydroxyethoxy)cyclohexyl]ethyl]-N-methylcarbamate
CID 23395979
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276
tert-butyl N-[3-[3-(hydroxymethyl)cyclobutyl]oxypropyl]-N-methylcarbamate
CID 167375585
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypiperidine-1-carboxylic acid
CID 146599300
tert-butyl N-methyl-N-[4-[4-[methyl(prop-2-enyl)amino]butoxy]cyclohexyl]carbamate
CID 69197678

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate (CID 138695042) is tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC(OCCO)C1.
What is the InChIKey of tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate?
The InChIKey is OCPGBQGCYPPTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13(4)9-7-10(8-9)16-6-5-14/h9-10,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate?
tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate has a molecular weight of 245.32 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-hydroxyethoxy)cyclobutyl]-N-methylcarbamate is sourced from PubChem (CID 138695042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).