methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride

C7H14ClNO2 — CID 91827960

IUPACmethyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride
SMILESCNC1(C(=O)OC)CCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-7(4-3-5-7)6(9)10-2;/h8H,3-5H2,1-2H3;1H
InChIKeyOVPVUBJLTLUDED-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.72
Rot. Bonds2

About methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride

methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride (PubChem CID 91827960) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride
PubChem CID91827960
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Namemethyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride
SMILESCNC1(C(=O)OC)CCC1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-8-7(4-3-5-7)6(9)10-2;/h8H,3-5H2,1-2H3;1H
InChIKeyOVPVUBJLTLUDED-UHFFFAOYSA-N
XLogP0.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride (CID 91827960) is methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride is CNC1(C(=O)OC)CCC1.Cl.
What is the InChIKey of methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride?
The InChIKey is OVPVUBJLTLUDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-8-7(4-3-5-7)6(9)10-2;/h8H,3-5H2,1-2H3;1H.
What are the key properties of methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride?
methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)cyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 91827960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).