3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid

C15H19NO2 — CID 55167121

IUPAC3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-15(14(17)18)9-11-16(12-15)10-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3,(H,17,18)/b8-5+
InChIKeyAJFVUDZEGNRAIV-VMPITWQZSA-N
MW245.32 g/mol
LogP2.50
Rot. Bonds4

About 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid

3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid (PubChem CID 55167121) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
PubChem CID55167121
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C/C=C/c2ccccc2)C1
InChIInChI=1S/C15H19NO2/c1-15(14(17)18)9-11-16(12-15)10-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3,(H,17,18)/b8-5+
InChIKeyAJFVUDZEGNRAIV-VMPITWQZSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enyl]pyrrolidine-3-carboxylic acid
CID 122046172
1-(3-phenylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 76951361
3,3,5,5-tetramethyl-1-(3-phenylprop-2-enyl)azepane
CID 151473242
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
CID 77024923
(3S)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylic acid
CID 97117701
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
6-[(E)-3-phenylprop-2-enyl]-2,6-diazaspiro[3.3]heptane-2-carboxylic acid
CID 146223900
1-[(2-bromophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147916
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
1-(3-phenylprop-2-enyl)pyrrolidine-3-carboxylic acid
CID 76985412
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid (CID 55167121) is 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C/C=C/c2ccccc2)C1.
What is the InChIKey of 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AJFVUDZEGNRAIV-VMPITWQZSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(14(17)18)9-11-16(12-15)10-5-8-13-6-3-2-4-7-13/h2-8H,9-12H2,1H3,(H,17,18)/b8-5+.
What are the key properties of 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid?
3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 55167121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).