methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride

C11H14ClNO2 — CID 154577525

IUPACmethyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1C1(N)CC1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-10(13)8-4-2-3-5-9(8)11(12)6-7-11;/h2-5H,6-7,12H2,1H3;1H
InChIKeyYDRXQYOIJMRZNZ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.84
Rot. Bonds2

About methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride

methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride (PubChem CID 154577525) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
PubChem CID154577525
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Namemethyl 2-(1-aminocyclopropyl)benzoate;hydrochloride
SMILESCOC(=O)c1ccccc1C1(N)CC1.Cl
InChIInChI=1S/C11H13NO2.ClH/c1-14-10(13)8-4-2-3-5-9(8)11(12)6-7-11;/h2-5H,6-7,12H2,1H3;1H
InChIKeyYDRXQYOIJMRZNZ-UHFFFAOYSA-N
XLogP1.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-[1-[(4-aminooxane-4-carbonyl)amino]cyclopropyl]benzoate
CID 175749439
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-hydrazinylbenzoate;hydrochloride
CID 71758151
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
methyl 2-(4-formyl-2-oxabicyclo[2.2.2]octan-1-yl)benzoate
CID 175987546
methyl 2-(2-bromo-1-cyanocyclobutyl)benzoate
CID 171798040
methyl 3-(1-aminocyclopropyl)-4,5-dimethylbenzoate
CID 117312519
methyl 2-[3-(trifluoromethyl)diaziridin-3-yl]benzoate
CID 133062073
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
1-[2-(1-aminocyclopropyl)phenyl]-N-methylcyclopropane-1-carboxamide
CID 115037910

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride?
The IUPAC name of methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride (CID 154577525) is methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride.
What is the SMILES notation for methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride?
The canonical SMILES for methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride is COC(=O)c1ccccc1C1(N)CC1.Cl.
What is the InChIKey of methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride?
The InChIKey is YDRXQYOIJMRZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2.ClH/c1-14-10(13)8-4-2-3-5-9(8)11(12)6-7-11;/h2-5H,6-7,12H2,1H3;1H.
What are the key properties of methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride?
methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride has a molecular weight of 227.69 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-aminocyclopropyl)benzoate;hydrochloride is sourced from PubChem (CID 154577525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).