2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride

C12H16ClNO2 — CID 6603112

IUPAC2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2.ClH/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H,14,15);1H
InChIKeyYSRMMTTWXDLPCV-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.33
Rot. Bonds3

About 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride

2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride (PubChem CID 6603112) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride
PubChem CID6603112
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccccc1)N1CCCC1
InChIInChI=1S/C12H15NO2.ClH/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H,14,15);1H
InChIKeyYSRMMTTWXDLPCV-UHFFFAOYSA-N
XLogP2.33
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

L-Phenylglycine
CID 99291
2-Phenylglycine
CID 3866
Phenylglycine, D-
CID 70134
(4-Methyl-piperidin-1-YL)-phenyl-acetic acid hydrochloride
CID 16192951
N-Acetyl-DL-phenylglycine
CID 85935
2-(Dimethylamino)-3-phenylpropanoic acid
CID 140236
N-Benzyl-L-proline
CID 728719
2-Phenyl-2-(piperidin-1-yl)acetic acid hydrochloride
CID 16189437
1-Acetyl-2-phenylpyrrolidine-2-carboxylic acid
CID 3809436
2-(Methylamino)-2-phenylacetic acid
CID 228214
(+)-N-Methyl-L-phenylglycine
CID 681675
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride?
The IUPAC name of 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride (CID 6603112) is 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride.
What is the SMILES notation for 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride?
The canonical SMILES for 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride is Cl.O=C(O)C(c1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride?
The InChIKey is YSRMMTTWXDLPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c14-12(15)11(13-8-4-5-9-13)10-6-2-1-3-7-10;/h1-3,6-7,11H,4-5,8-9H2,(H,14,15);1H.
What are the key properties of 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride?
2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-pyrrolidin-1-ylacetic acid;hydrochloride is sourced from PubChem (CID 6603112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).