3-(1-phenylpyrrolidin-2-yl)propanoic acid

C13H17NO2 — CID 117028652

IUPAC3-(1-phenylpyrrolidin-2-yl)propanoic acid
SMILESO=C(O)CCC1CCCN1c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyCMPVJIXJNKNLAU-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.52
Rot. Bonds4

About 3-(1-phenylpyrrolidin-2-yl)propanoic acid

3-(1-phenylpyrrolidin-2-yl)propanoic acid (PubChem CID 117028652) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-(1-phenylpyrrolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-phenylpyrrolidin-2-yl)propanoic acid
PubChem CID117028652
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-(1-phenylpyrrolidin-2-yl)propanoic acid
SMILESO=C(O)CCC1CCCN1c1ccccc1
InChIInChI=1S/C13H17NO2/c15-13(16)9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)
InChIKeyCMPVJIXJNKNLAU-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluorophenyl)piperidin-2-yl]propanoic acid
CID 117028139
3-[1-(4-carbamoylphenyl)piperidin-2-yl]propanoic acid
CID 62216139
1-phenyl-2-(2-phenylethyl)pyrrolidine
CID 10922989
2-(2,3-dimethylbut-2-enyl)-1-phenylpyrrolidine
CID 101376496
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
2-[1-(4-hydroxyphenyl)pyrrolidin-2-yl]acetic acid
CID 67085852
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365
2-(2-methylpropyl)-1-phenylpyrrolidine
CID 11241145
4-(1-phenylpiperidin-2-yl)butan-1-amine
CID 70110239
2-cyclopentyl-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619739
[(2R)-1-phenylpiperidin-2-yl]methanamine
CID 131023899
2-[1-[4-(naphthalen-2-ylmethyl)phenyl]pyrrolidin-2-yl]acetic acid
CID 51348596

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrrolidin-2-yl)propanoic acid?
The IUPAC name of 3-(1-phenylpyrrolidin-2-yl)propanoic acid (CID 117028652) is 3-(1-phenylpyrrolidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(1-phenylpyrrolidin-2-yl)propanoic acid?
The canonical SMILES for 3-(1-phenylpyrrolidin-2-yl)propanoic acid is O=C(O)CCC1CCCN1c1ccccc1.
What is the InChIKey of 3-(1-phenylpyrrolidin-2-yl)propanoic acid?
The InChIKey is CMPVJIXJNKNLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)9-8-12-7-4-10-14(12)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16).
What are the key properties of 3-(1-phenylpyrrolidin-2-yl)propanoic acid?
3-(1-phenylpyrrolidin-2-yl)propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrrolidin-2-yl)propanoic acid is sourced from PubChem (CID 117028652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).