benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride

C13H19ClN2O2 — CID 131638009

IUPACbenzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
SMILESCC1(CNC(=O)OCc2ccccc2)CNC1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-13(8-14-9-13)10-15-12(16)17-7-11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3,(H,15,16);1H
InChIKeyZZMGHGJNBASGGI-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.94
Rot. Bonds4

About benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride

benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride (PubChem CID 131638009) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
PubChem CID131638009
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Namebenzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
SMILESCC1(CNC(=O)OCc2ccccc2)CNC1.Cl
InChIInChI=1S/C13H18N2O2.ClH/c1-13(8-14-9-13)10-15-12(16)17-7-11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3,(H,15,16);1H
InChIKeyZZMGHGJNBASGGI-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride?
The IUPAC name of benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride (CID 131638009) is benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride.
What is the SMILES notation for benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride?
The canonical SMILES for benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride is CC1(CNC(=O)OCc2ccccc2)CNC1.Cl.
What is the InChIKey of benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride?
The InChIKey is ZZMGHGJNBASGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2.ClH/c1-13(8-14-9-13)10-15-12(16)17-7-11-5-3-2-4-6-11;/h2-6,14H,7-10H2,1H3,(H,15,16);1H.
What are the key properties of benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride?
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 131638009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).