ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride

C8H16ClNO2 — CID 71756654

IUPACethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-3-11-7(10)8(2)4-5-9-6-8;/h9H,3-6H2,1-2H3;1H
InChIKeyOLLQWQDJUOALNL-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds2

About ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride

ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 71756654) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID71756654
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nameethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
SMILESCCOC(=O)C1(C)CCNC1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-3-11-7(10)8(2)4-5-9-6-8;/h9H,3-6H2,1-2H3;1H
InChIKeyOLLQWQDJUOALNL-UHFFFAOYSA-N
XLogP0.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
ethyl (3S)-3-methylazepane-3-carboxylate
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propyl 3-methylpyrrolidine-3-carboxylate
CID 63145112
butyl 3-methylpyrrolidine-3-carboxylate
CID 63145158
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
ethyl 3-cyanopyrrolidine-3-carboxylate;hydrochloride
CID 154814329
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
CID 142438427
ethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
CID 137331820
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethyl 2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 82038278
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride (CID 71756654) is ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride is CCOC(=O)C1(C)CCNC1.Cl.
What is the InChIKey of ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is OLLQWQDJUOALNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-3-11-7(10)8(2)4-5-9-6-8;/h9H,3-6H2,1-2H3;1H.
What are the key properties of ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride?
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 71756654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).