2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride

C7H14ClNO2 — CID 119031697

IUPAC2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride
SMILESCC1CCN(CC(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6-2-3-8(4-6)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyCIEYKMPRRKFERF-UHFFFAOYSA-N
MW179.65 g/mol
LogP0.83
Rot. Bonds2

About 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride

2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride (PubChem CID 119031697) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride
PubChem CID119031697
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride
SMILESCC1CCN(CC(=O)O)C1.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-6-2-3-8(4-6)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H
InChIKeyCIEYKMPRRKFERF-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
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-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid
CID 10352272
2-(3-Fluoro-3-methylpyrrolidin-1-yl)acetic acid
CID 115012634
2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129322031
2-[(4-Fluoro-1-methylpyrrolidin-3-yl)methyl-methylamino]acetic acid
CID 155049752
2-(1-Methylpyrrolidin-1-ium-1-yl)acetate
CID 21578866
2-(3-(Difluoromethyl)pyrrolidin-1-yl)acetic acid
CID 121201133
2-(3-(Trifluoromethyl)pyrrolidin-1-yl)acetic acid
CID 121215375
2-(3-(Fluoromethyl)pyrrolidin-1-yl)acetic acid
CID 121215405
2-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]acetic acid
CID 129322032

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride (CID 119031697) is 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride is CC1CCN(CC(=O)O)C1.Cl.
What is the InChIKey of 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
The InChIKey is CIEYKMPRRKFERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-6-2-3-8(4-6)5-7(9)10;/h6H,2-5H2,1H3,(H,9,10);1H.
What are the key properties of 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride?
2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpyrrolidin-1-yl)acetic acid;hydrochloride is sourced from PubChem (CID 119031697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).