methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate

C7H14N2O2 — CID 70517273

IUPACmethyl N-(azetidin-3-ylmethyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CC1CNC1
InChIInChI=1S/C7H14N2O2/c1-9(7(10)11-2)5-6-3-8-4-6/h6,8H,3-5H2,1-2H3
InChIKeyOGEKYGJNKXNSQX-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.10
Rot. Bonds2

About methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate

methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate (PubChem CID 70517273) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(azetidin-3-ylmethyl)-N-methylcarbamate
PubChem CID70517273
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl N-(azetidin-3-ylmethyl)-N-methylcarbamate
SMILESCOC(=O)N(C)CC1CNC1
InChIInChI=1S/C7H14N2O2/c1-9(7(10)11-2)5-6-3-8-4-6/h6,8H,3-5H2,1-2H3
InChIKeyOGEKYGJNKXNSQX-UHFFFAOYSA-N
XLogP-0.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(azetidin-3-ylmethyl)-N-tert-butylcarbamate
CID 145349487
methyl N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]carbamate
CID 115612489
2-(azetidin-3-yl)-N-(2-methoxyethyl)-N-methylacetamide
CID 64611813
oxan-4-yl N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]carbamate
CID 146799591
N-methyl-N-(pyrrolidin-3-ylmethyl)acetamide;hydrochloride
CID 129319655
methyl N-(chloromethyl)-N-methylcarbamate
CID 12631503
ethyl N-(cyclopropylmethyl)-N-methylcarbamate
CID 56630392
2-acetamido-N-methyl-N-(piperidin-3-ylmethyl)acetamide
CID 106628048
2-methoxy-N,2-dimethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106627739
2-[[2-(azetidin-3-yl)acetyl]-methylamino]acetic acid
CID 64609754
2-(azetidin-3-yloxy)-N-(cyclobutylmethyl)-N-methylacetamide
CID 119770666
benzyl N-methyl-N-[[(3R)-piperidin-3-yl]methyl]carbamate
CID 96555658

Frequently Asked Questions

What is the IUPAC name of methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate?
The IUPAC name of methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate (CID 70517273) is methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate is COC(=O)N(C)CC1CNC1.
What is the InChIKey of methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate?
The InChIKey is OGEKYGJNKXNSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-9(7(10)11-2)5-6-3-8-4-6/h6,8H,3-5H2,1-2H3.
What are the key properties of methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate?
methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate has a molecular weight of 158.20 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(azetidin-3-ylmethyl)-N-methylcarbamate is sourced from PubChem (CID 70517273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).