methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride

C8H16ClNO2 — CID 118991678

IUPACmethyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC1(C)C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)5-9-4-6(8)7(10)11-3;/h6,9H,4-5H2,1-3H3;1H
InChIKeyOBMMQLPHMBRQAU-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.83
Rot. Bonds1

About methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride

methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride (PubChem CID 118991678) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride
PubChem CID118991678
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Namemethyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CNCC1(C)C.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-8(2)5-9-4-6(8)7(10)11-3;/h6,9H,4-5H2,1-3H3;1H
InChIKeyOBMMQLPHMBRQAU-UHFFFAOYSA-N
XLogP0.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl pyrrolidine-3-carboxylate hydrochloride
CID 12896003
Methyl 3-methylpyrrolidine-3-carboxylate
CID 58201304
rac-methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512689
3,4-diethyl (3R,4R)-pyrrolidine-3,4-dicarboxylate
CID 13172076
Methyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 1512690
Methyl 4-methylpyrrolidin-3-carboxylate
CID 5081515
4,4-Dimethyl-pyrrolidine-3-carboxylic acid
CID 5103410
Ethyl pyrrolidine-3-carboxylate
CID 12896002
Methyl pyrrolidine-3-carboxylate hydrochloride
CID 19261352
tert-Butyl pyrrolidine-3-carboxylate
CID 22394392
methyl (3R)-pyrrolidine-3-carboxylate hydrochloride
CID 46907954
ethyl (3R)-pyrrolidine-3-carboxylate hydrochloride
CID 53488453

Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride (CID 118991678) is methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride is COC(=O)C1CNCC1(C)C.Cl.
What is the InChIKey of methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride?
The InChIKey is OBMMQLPHMBRQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-8(2)5-9-4-6(8)7(10)11-3;/h6,9H,4-5H2,1-3H3;1H.
What are the key properties of methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride?
methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethylpyrrolidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 118991678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).