methylamino cyclobutanecarboxylate;hydrochloride

C6H12ClNO2 — CID 175601704

IUPACmethylamino cyclobutanecarboxylate;hydrochloride
SMILESCNOC(=O)C1CCC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-7-9-6(8)5-3-2-4-5;/h5,7H,2-4H2,1H3;1H
InChIKeyLJFATWWBFORYQX-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.89
Rot. Bonds2

About methylamino cyclobutanecarboxylate;hydrochloride

methylamino cyclobutanecarboxylate;hydrochloride (PubChem CID 175601704) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methylamino cyclobutanecarboxylate;hydrochloride.

Molecular Properties

Compound Namemethylamino cyclobutanecarboxylate;hydrochloride
PubChem CID175601704
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethylamino cyclobutanecarboxylate;hydrochloride
SMILESCNOC(=O)C1CCC1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-7-9-6(8)5-3-2-4-5;/h5,7H,2-4H2,1H3;1H
InChIKeyLJFATWWBFORYQX-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methylamino cyclopropanecarboxylate
CID 19995333
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
(hydroxyamino) cyclohexanecarboxylate
CID 149013635
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
ethane;methyl cyclohexanecarboxylate
CID 90871014
2-[2-(2-methoxyethoxy)ethoxy]ethyl cyclobutanecarboxylate
CID 10192770
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
di(cyclobutyl)methanone;trihydrochloride
CID 174768211
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
CID 162270399
ethyl cyclohexanecarboxylate;hydrochloride
CID 68985516
hydroxymethyl cyclobutanecarboxylate
CID 137371714

Frequently Asked Questions

What is the IUPAC name of methylamino cyclobutanecarboxylate;hydrochloride?
The IUPAC name of methylamino cyclobutanecarboxylate;hydrochloride (CID 175601704) is methylamino cyclobutanecarboxylate;hydrochloride.
What is the SMILES notation for methylamino cyclobutanecarboxylate;hydrochloride?
The canonical SMILES for methylamino cyclobutanecarboxylate;hydrochloride is CNOC(=O)C1CCC1.Cl.
What is the InChIKey of methylamino cyclobutanecarboxylate;hydrochloride?
The InChIKey is LJFATWWBFORYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-7-9-6(8)5-3-2-4-5;/h5,7H,2-4H2,1H3;1H.
What are the key properties of methylamino cyclobutanecarboxylate;hydrochloride?
methylamino cyclobutanecarboxylate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylamino cyclobutanecarboxylate;hydrochloride is sourced from PubChem (CID 175601704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).