2-pyrrolidin-3-ylacetic acid;hydrochloride

C6H12ClNO2 — CID 42614151

IUPAC2-pyrrolidin-3-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCNC1
InChIInChI=1S/C6H11NO2.ClH/c8-6(9)3-5-1-2-7-4-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKeyBDLQVQGTZQCUQF-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.49
Rot. Bonds2

About 2-pyrrolidin-3-ylacetic acid;hydrochloride

2-pyrrolidin-3-ylacetic acid;hydrochloride (PubChem CID 42614151) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-pyrrolidin-3-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-pyrrolidin-3-ylacetic acid;hydrochloride
PubChem CID42614151
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-pyrrolidin-3-ylacetic acid;hydrochloride
SMILESCl.O=C(O)CC1CCNC1
InChIInChI=1S/C6H11NO2.ClH/c8-6(9)3-5-1-2-7-4-5;/h5,7H,1-4H2,(H,8,9);1H
InChIKeyBDLQVQGTZQCUQF-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

3-pyrrolidin-3-ylpropanoic acid
CID 12825648
acetic acid;methyl 2-pyrrolidin-3-ylacetate
CID 70009063
(2S)-2-amino-3-[(3R)-pyrrolidin-3-yl]propanoic acid
CID 86331139
acetyl 2-pyrrolidin-3-ylacetate
CID 57229182
2-[6,9-bis(carboxymethyl)-1,6-diazecan-3-yl]acetic acid
CID 167250780
1-pyrrolidin-3-ylpent-4-en-2-one
CID 116583305
2-[(3R,4S)-3-cyclopropylpiperidin-4-yl]acetic acid
CID 155822118
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
2-(piperidin-4-ylmethylamino)acetic acid
CID 67168932
2-[prop-2-enyl-(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 79262135
2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
CID 79370825

Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-ylacetic acid;hydrochloride?
The IUPAC name of 2-pyrrolidin-3-ylacetic acid;hydrochloride (CID 42614151) is 2-pyrrolidin-3-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-pyrrolidin-3-ylacetic acid;hydrochloride?
The canonical SMILES for 2-pyrrolidin-3-ylacetic acid;hydrochloride is Cl.O=C(O)CC1CCNC1.
What is the InChIKey of 2-pyrrolidin-3-ylacetic acid;hydrochloride?
The InChIKey is BDLQVQGTZQCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c8-6(9)3-5-1-2-7-4-5;/h5,7H,1-4H2,(H,8,9);1H.
What are the key properties of 2-pyrrolidin-3-ylacetic acid;hydrochloride?
2-pyrrolidin-3-ylacetic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-ylacetic acid;hydrochloride is sourced from PubChem (CID 42614151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).