2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid

C13H17NO2 — CID 59166357

IUPAC2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CN1CCCC1
InChIInChI=1S/C13H17NO2/c15-13(16)9-11-5-1-2-6-12(11)10-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,15,16)
InChIKeyCCHNKLZFBAUZMY-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.91
Rot. Bonds4

About 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid

2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid (PubChem CID 59166357) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
PubChem CID59166357
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CN1CCCC1
InChIInChI=1S/C13H17NO2/c15-13(16)9-11-5-1-2-6-12(11)10-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,15,16)
InChIKeyCCHNKLZFBAUZMY-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid 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

2-[2-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 113314657
2-[2-[(3-hydroxypiperidin-1-yl)methyl]phenyl]acetic acid
CID 115462681
2-[2-[[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methyl]phenyl]acetic acid
CID 113314722
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
2-[2-[(4-cyano-4-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 107160855
2-phenylsulfanyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 9143003
2-[2-[[4-[(dimethylamino)methyl]piperidin-1-yl]methyl]phenyl]acetic acid
CID 115462730
2-[[2-(azepan-1-ylmethyl)benzoyl]amino]acetic acid
CID 92922585
4-[[[2-(azepan-1-ylmethyl)phenyl]methylamino]methyl]benzoic acid
CID 122031346
2-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]benzoic acid
CID 74238345
N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]-2-phenylacetamide
CID 41438782

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid (CID 59166357) is 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid is O=C(O)Cc1ccccc1CN1CCCC1.
What is the InChIKey of 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid?
The InChIKey is CCHNKLZFBAUZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)9-11-5-1-2-6-12(11)10-14-7-3-4-8-14/h1-2,5-6H,3-4,7-10H2,(H,15,16).
What are the key properties of 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid?
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid has a molecular weight of 219.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid is sourced from PubChem (CID 59166357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).