3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid

C14H19NO2 — CID 63068810

IUPAC3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
SMILESCC1CCN(C(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-15(10-11)13(9-14(16)17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeyYDUVUHGYBCLUBS-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.54
Rot. Bonds4

About 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid

3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid (PubChem CID 63068810) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
PubChem CID63068810
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid
SMILESCC1CCN(C(CC(=O)O)c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-15(10-11)13(9-14(16)17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17)
InChIKeyYDUVUHGYBCLUBS-UHFFFAOYSA-N
XLogP2.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-phenylpropanoic acid
CID 63066913
3-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-phenylpropanoic acid
CID 63067293
2-methyl-N-[2-(3-methylpyrrolidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62428755
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
3-phenyl-3-(3-propylazetidin-1-yl)propanoic acid
CID 79687883
3-(4,4-diethylpiperidin-1-yl)-3-phenylpropanoic acid
CID 63161254
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
3-(2-ethylpyrrolidin-1-yl)-3-phenylpropanoic acid
CID 63075093
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
2-(3-methylpyrrolidin-1-yl)-1,2-diphenylethanamine
CID 61226976
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 119860442
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid?
The IUPAC name of 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid (CID 63068810) is 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid.
What is the SMILES notation for 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid?
The canonical SMILES for 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid is CC1CCN(C(CC(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid?
The InChIKey is YDUVUHGYBCLUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-8-15(10-11)13(9-14(16)17)12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H,16,17).
What are the key properties of 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid?
3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid has a molecular weight of 233.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidin-1-yl)-3-phenylpropanoic acid is sourced from PubChem (CID 63068810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).