3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid

C16H23NO2 — CID 82183365

IUPAC3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCN1CCCc1ccccc1
InChIInChI=1S/C16H23NO2/c18-16(19)11-10-15-9-5-13-17(15)12-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,19)
InChIKeyWWZYSUFRQOYINX-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.95
Rot. Bonds7

About 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid

3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid (PubChem CID 82183365) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
PubChem CID82183365
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCN1CCCc1ccccc1
InChIInChI=1S/C16H23NO2/c18-16(19)11-10-15-9-5-13-17(15)12-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,19)
InChIKeyWWZYSUFRQOYINX-UHFFFAOYSA-N
XLogP2.95
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic 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

3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
5-(2-benzylpiperidin-1-yl)pentanoic acid
CID 18621474
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
3-[1-[3-(1-benzofuran-2-yl)-3-oxopropyl]pyrrolidin-2-yl]propanoic acid
CID 82183541
1-[1-(2-phenylethyl)pyrrolidin-2-yl]propan-2-one
CID 79546481
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
4-[(2S)-2-[(4-benzylphenoxy)methyl]pyrrolidin-1-yl]butanoic acid
CID 42641719
3-[1-[3-(2-methoxyphenyl)-3-oxopropyl]pyrrolidin-2-yl]propanoic acid
CID 82183549
3-[1-(2-phenylpropyl)piperidin-2-yl]propanoic acid
CID 65062535
3-[[2-(3-phenylpropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 122018496

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid (CID 82183365) is 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid is O=C(O)CCC1CCCN1CCCc1ccccc1.
What is the InChIKey of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid?
The InChIKey is WWZYSUFRQOYINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c18-16(19)11-10-15-9-5-13-17(15)12-4-8-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2,(H,18,19).
What are the key properties of 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid?
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid has a molecular weight of 261.36 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 82183365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).