2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride

C7H14ClNO2 — CID 67010786

IUPAC2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride
SMILESCC1CCCN1CC(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6-3-2-4-8(6)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyHMLCYFWVCJRNCR-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.98
Rot. Bonds2

About 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride

2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride (PubChem CID 67010786) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride
PubChem CID67010786
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride
SMILESCC1CCCN1CC(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6-3-2-4-8(6)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyHMLCYFWVCJRNCR-UHFFFAOYSA-N
XLogP0.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrrolidin-1-ylacetic acid
CID 414564
2-(Pyrrolidin-1-yl)acetic acid hydrochloride
CID 13022016
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid chloride
CID 10352271
2-Pyrrolidin-1-ylpropanoic acid
CID 3157177
2,5-Dimethyl-1-pyrrolidineacetic acid
CID 21332271
2-[Cyclopentyl(methyl)amino]acetic acid
CID 28064656
2-(Pyrrolidin-1-yl)propanoic acid hydrochloride
CID 45074903
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid
CID 10352272
2-(2,5-Dimethylpyrrolidin-1-yl)propanoic acid
CID 45792273
2-[Cyclopentyl(methyl)amino]acetic acid hydrochloride
CID 137318121
2-(2-Methylpyrrolidin-1-yl)acetic acid
CID 54594852
1-(Carboxymethyl)-1-pentylpyrrolidin-1-ium bromide
CID 168301789

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride (CID 67010786) is 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride is CC1CCCN1CC(=O)O.Cl.
What is the InChIKey of 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
The InChIKey is HMLCYFWVCJRNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-6-3-2-4-8(6)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrrolidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 67010786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).