3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid

C13H17NO2 — CID 94362410

IUPAC3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H17NO2/c15-13(16)7-9-14-8-6-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)/t12-/m1/s1
InChIKeyFKISKTQXLSPHFZ-GFCCVEGCSA-N
MW219.28 g/mol
LogP1.95
Rot. Bonds4

About 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid

3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid (PubChem CID 94362410) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
PubChem CID94362410
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid
SMILESO=C(O)CCN1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H17NO2/c15-13(16)7-9-14-8-6-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)/t12-/m1/s1
InChIKeyFKISKTQXLSPHFZ-GFCCVEGCSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-phenylpiperidin-1-yl)butanoic acid
CID 156599277
3-(3-methyl-4-phenylpiperidin-1-yl)propanoic acid;hydrochloride
CID 119923167
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
3-[(3S)-3-phenylpyrrolidin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 1145568
N-[(1R)-1-phenylethyl]-3-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95339552
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
9-(3-phenylpyrrolidin-1-yl)nonane-1-thiol
CID 105343948
6-(3-phenylpyrrolidin-1-yl)hexan-2-ol
CID 62133412
2-amino-2-methyl-4-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 62131421
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 667446
1-(3,4-dimethoxyphenyl)-3-[(3R)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 745591

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid?
The IUPAC name of 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid (CID 94362410) is 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid is O=C(O)CCN1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid?
The InChIKey is FKISKTQXLSPHFZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(16)7-9-14-8-6-12(10-14)11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,15,16)/t12-/m1/s1.
What are the key properties of 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid?
3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid has a molecular weight of 219.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-phenylpyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 94362410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).