(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C15H17NO4 — CID 3048970

IUPAC(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=C[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO4/c1-2-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,17,18)/t15-/m1/s1
InChIKeyBPQBPQRMYRYICN-OAHLLOKOSA-N
MW275.30 g/mol
LogP2.43
Rot. Bonds4

About (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 3048970) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID3048970
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESC=C[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H17NO4/c1-2-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,17,18)/t15-/m1/s1
InChIKeyBPQBPQRMYRYICN-OAHLLOKOSA-N
XLogP2.43
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-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 (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 3048970) is (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is C=C[C@]1(C(=O)O)CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is BPQBPQRMYRYICN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-15(13(17)18)9-6-10-16(15)14(19)20-11-12-7-4-3-5-8-12/h2-5,7-8H,1,6,9-11H2,(H,17,18)/t15-/m1/s1.
What are the key properties of (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 3048970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).