ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate

C11H22N2O2 — CID 163746580

IUPACethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CN(C(C)CC)C1
InChIInChI=1S/C11H22N2O2/c1-5-9(3)13-7-10(8-13)12(4)11(14)15-6-2/h9-10H,5-8H2,1-4H3
InChIKeyLMJZXJKETATENX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds4

About ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate

ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate (PubChem CID 163746580) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate
PubChem CID163746580
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nameethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CN(C(C)CC)C1
InChIInChI=1S/C11H22N2O2/c1-5-9(3)13-7-10(8-13)12(4)11(14)15-6-2/h9-10H,5-8H2,1-4H3
InChIKeyLMJZXJKETATENX-UHFFFAOYSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-methyl-N-(1-propan-2-ylazetidin-3-yl)carbamate
CID 146427373
propan-2-yl N-(1-butan-2-ylpyrrolidin-3-yl)-N-methylcarbamate
CID 142960117
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
CID 123982120
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309
ethyl 1-butan-2-ylpiperidine-4-carboxylate
CID 62027270
ethyl N-[1-(2-ethoxyacetyl)piperidin-4-yl]-N-methylcarbamate
CID 176554247
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
CID 79122099
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butanoate
CID 79411173
ethyl 3-(3-aminoazetidin-1-yl)butanoate
CID 65249618
ethyl 2-[ethoxycarbonyl(methyl)amino]-3-methylpentanoate
CID 155456106
ethyl N,N-bis[1-(dimethylamino)propyl]carbamate
CID 88748981
ethyl N-[1-butan-2-yl-5-(2,2-dimethylpropyl)piperidin-3-yl]carbamate
CID 112543950

Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate?
The IUPAC name of ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate (CID 163746580) is ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate.
What is the SMILES notation for ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate?
The canonical SMILES for ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate is CCOC(=O)N(C)C1CN(C(C)CC)C1.
What is the InChIKey of ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate?
The InChIKey is LMJZXJKETATENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-9(3)13-7-10(8-13)12(4)11(14)15-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate?
ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate has a molecular weight of 214.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-butan-2-ylazetidin-3-yl)-N-methylcarbamate is sourced from PubChem (CID 163746580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).