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

C15H19NO2 — CID 77024923

IUPAC2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1CC=Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-15(14(17)18)10-6-12-16(15)11-5-9-13-7-3-2-4-8-13/h2-5,7-9H,6,10-12H2,1H3,(H,17,18)
InChIKeyJTSNRSFDIFKVMH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.64
Rot. Bonds4

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

2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid (PubChem CID 77024923) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
PubChem CID77024923
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1CC=Cc1ccccc1
InChIInChI=1S/C15H19NO2/c1-15(14(17)18)10-6-12-16(15)11-5-9-13-7-3-2-4-8-13/h2-5,7-9H,6,10-12H2,1H3,(H,17,18)
InChIKeyJTSNRSFDIFKVMH-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidine-3-carboxylic acid
CID 55167121
3-ethyl-1-(3-phenylprop-2-enyl)piperidine-3-carboxylic acid
CID 76986276
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylpyrrolidine-2-carboxylic acid
CID 66419546
1-(3-phenylprop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 76951361
2-methyl-1-(2-phenylsulfanylethyl)piperidine-2-carboxylic acid
CID 104598722
(3S)-3-(3-methoxypropyl)-1-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylic acid
CID 97117701
(2-methylpyrrolidin-2-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 156608349
2-methyl-1-[(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 113431089
[(2R)-2-methylpyrrolidin-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone;dihydrochloride
CID 154900837
1-[(3-bromo-4-pyridinyl)methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 136555618
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid (CID 77024923) is 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1CC=Cc1ccccc1.
What is the InChIKey of 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid?
The InChIKey is JTSNRSFDIFKVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-15(14(17)18)10-6-12-16(15)11-5-9-13-7-3-2-4-8-13/h2-5,7-9H,6,10-12H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 77024923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).