ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride

C8H16ClNO2 — CID 42614258

IUPACethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(C)CN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-3-11-8(10)7-4-6(2)5-9-7;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyGMUMZOMHSNLSBG-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.97
Rot. Bonds2

About ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride

ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride (PubChem CID 42614258) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
PubChem CID42614258
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Nameethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(C)CN1.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-3-11-8(10)7-4-6(2)5-9-7;/h6-7,9H,3-5H2,1-2H3;1H
InChIKeyGMUMZOMHSNLSBG-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 4-ethylpyrrolidine-2-carboxylate;hydrochloride
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4-methylpyrrolidine-2-carboxamide;hydrochloride
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ethyl (2R,4R)-4-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylate
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CID 147463396
4-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 71952985
ethyl (2S,4S)-4-(2-cyclopropyl-2-oxoethyl)pyrrolidine-2-carboxylate
CID 59628502
ethyl 2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
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ethyl piperazine-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride (CID 42614258) is ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride is CCOC(=O)C1CC(C)CN1.Cl.
What is the InChIKey of ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is GMUMZOMHSNLSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-3-11-8(10)7-4-6(2)5-9-7;/h6-7,9H,3-5H2,1-2H3;1H.
What are the key properties of ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride?
ethyl 4-methylpyrrolidine-2-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 4-methylpyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 42614258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).