2-pyrrolidin-1-ylacetic acid;hydrochloride

C6H12ClNO2 — CID 13022016

IUPAC2-pyrrolidin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCCC1
InChIInChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
InChIKeyHIGULTVOVROJID-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.59
Rot. Bonds2

About 2-pyrrolidin-1-ylacetic acid;hydrochloride

2-pyrrolidin-1-ylacetic acid;hydrochloride (PubChem CID 13022016) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-pyrrolidin-1-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-1-ylacetic acid;hydrochloride
PubChem CID13022016
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-pyrrolidin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CN1CCCC1
InChIInChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H
InChIKeyHIGULTVOVROJID-UHFFFAOYSA-N
XLogP0.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-pyrrolidin-1-ylacetic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrrolidin-1-ylacetic acid
CID 414564
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid chloride
CID 10352271
2-Pyrrolidin-1-ylpropanoic acid
CID 3157177
Butyl-(carboxymethyl)-dimethylazanium chloride
CID 44366677
2-(Pyrrolidin-1-yl)propanoic acid hydrochloride
CID 45074903
2-(Methyl(propyl)amino)acetic acid hydrochloride
CID 50988218
2-(2-Methylpyrrolidin-1-yl)acetic acid hydrochloride
CID 67010786
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid
CID 10352272
2-(3-Methylpyrrolidin-1-yl)acetic acid hydrochloride
CID 119031697
2-(2-Methylpyrrolidin-1-yl)acetic acid
CID 54594852
2-(3,3-Difluoropyrrolidin-1-yl)acetic acid
CID 89051258
2-(3-Fluoro-3-methylpyrrolidin-1-yl)acetic acid
CID 115012634

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-ylacetic acid;hydrochloride?
The IUPAC name of 2-pyrrolidin-1-ylacetic acid;hydrochloride (CID 13022016) is 2-pyrrolidin-1-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-1-ylacetic acid;hydrochloride?
The canonical SMILES for 2-pyrrolidin-1-ylacetic acid;hydrochloride is Cl.O=C(O)CN1CCCC1.
What is the InChIKey of 2-pyrrolidin-1-ylacetic acid;hydrochloride?
The InChIKey is HIGULTVOVROJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c8-6(9)5-7-3-1-2-4-7;/h1-5H2,(H,8,9);1H.
What are the key properties of 2-pyrrolidin-1-ylacetic acid;hydrochloride?
2-pyrrolidin-1-ylacetic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-ylacetic acid;hydrochloride is sourced from PubChem (CID 13022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).