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

C15H17NO3 — CID 10869003

IUPAC1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESC/C(=C\c1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H17NO3/c1-11(10-12-6-3-2-4-7-12)14(17)16-9-5-8-13(16)15(18)19/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,18,19)/b11-10+
InChIKeyXSGDRPIIYQYJNM-ZHACJKMWSA-N
MW259.31 g/mol
LogP2.17
Rot. Bonds3

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

1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 10869003) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID10869003
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid
SMILESC/C(=C\c1ccccc1)C(=O)N1CCCC1C(=O)O
InChIInChI=1S/C15H17NO3/c1-11(10-12-6-3-2-4-7-12)14(17)16-9-5-8-13(16)15(18)19/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,18,19)/b11-10+
InChIKeyXSGDRPIIYQYJNM-ZHACJKMWSA-N
XLogP2.17
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid (CID 10869003) is 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid is C/C(=C\c1ccccc1)C(=O)N1CCCC1C(=O)O.
What is the InChIKey of 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is XSGDRPIIYQYJNM-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11(10-12-6-3-2-4-7-12)14(17)16-9-5-8-13(16)15(18)19/h2-4,6-7,10,13H,5,8-9H2,1H3,(H,18,19)/b11-10+.
What are the key properties of 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid?
1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-methyl-3-phenylprop-2-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 10869003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).