2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride

C10H20ClNO2 — CID 119031002

IUPAC2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride
SMILESCN1CCCC(C(C)(C)C(=O)O)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13)8-5-4-6-11(3)7-8;/h8H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyGJRJHVHHMQPNGW-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.86
Rot. Bonds2

About 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride

2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride (PubChem CID 119031002) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride
PubChem CID119031002
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Name2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride
SMILESCN1CCCC(C(C)(C)C(=O)O)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13)8-5-4-6-11(3)7-8;/h8H,4-7H2,1-3H3,(H,12,13);1H
InChIKeyGJRJHVHHMQPNGW-UHFFFAOYSA-N
XLogP1.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 45595338
2-{1-[(Tert-butoxy)carbonyl]piperidin-3-yl}-2-methylpropanoic acid
CID 66887414
3-(1-Methylpiperidin-4-yl)propanoic acid hydrochloride
CID 67402292
2-(1-Methylpiperidin-3-yl)acetic acid hydrochloride
CID 77253672
2-(Piperidin-3-yl)propanoic acid hydrochloride
CID 122163345
1,2-Dimethylpiperidine-4-carboxylic acid hydrochloride
CID 155895625
Sodium 2-(1-methylpiperidin-3-yl)butanoate
CID 155971144
5-Trimethyl-4-piperidinecarboxylic acid
CID 83905880
2-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 97794025
Acetic acid, 1-butyl-3-piperidyl ester
CID 144400
2-(1-Methylpiperidin-3-yl)acetic acid
CID 10511128
3-(1-Methylpiperidin-4-YL)propanoic acid
CID 22056660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride (CID 119031002) is 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride is CN1CCCC(C(C)(C)C(=O)O)C1.Cl.
What is the InChIKey of 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride?
The InChIKey is GJRJHVHHMQPNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,9(12)13)8-5-4-6-11(3)7-8;/h8H,4-7H2,1-3H3,(H,12,13);1H.
What are the key properties of 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride?
2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpiperidin-3-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 119031002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).