4-methylpyrrolidine-2-carboxylic acid;hydrochloride

C6H12ClNO2 — CID 71952985

IUPAC4-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC1CNC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyVLDINRBTKBFNDD-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.49
Rot. Bonds1

About 4-methylpyrrolidine-2-carboxylic acid;hydrochloride

4-methylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 71952985) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 4-methylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-methylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID71952985
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name4-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCC1CNC(C(=O)O)C1.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyVLDINRBTKBFNDD-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylpyrrolidine-2-carboxamide;hydrochloride
CID 175423092
(5R)-5-methylpiperidine-2-carboxylic acid;hydrochloride
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(2S,4S)-4-methylpiperidine-2-carboxylic acid;(2R,4R)-4-methylpiperidine-2-carboxylic acid;dihydrochloride
CID 171921042
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
(2S,4S,5R)-piperidine-2,4,5-tricarboxylic acid
CID 10822635
1-[(2S,4R)-4-methylpyrrolidin-2-yl]propan-1-one
CID 147463396
2-methyl-1-(4-methylpyrrolidin-2-yl)propan-1-one
CID 90895243
ethyl 4-methylpyrrolidine-2-carboxylate;hydrochloride
CID 42614258
4-methoxypyrrolidine-2-carboxylic acid;hydrochloride
CID 77213691
(2S)-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 54517485
(2S)-4-aminopyrrolidine-2-carboxylic acid
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(2S)-4-tert-butylpyrrolidine-2-carboxylic acid
CID 68652206

Frequently Asked Questions

What is the IUPAC name of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride (CID 71952985) is 4-methylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-methylpyrrolidine-2-carboxylic acid;hydrochloride is CC1CNC(C(=O)O)C1.Cl.
What is the InChIKey of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is VLDINRBTKBFNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-4-2-5(6(8)9)7-3-4;/h4-5,7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
4-methylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71952985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).