(2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid

C15H17NO4 — CID 152761596

IUPAC(2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid
SMILESC=C[C@H]1[C@@H](C(=O)O)C[C@H](C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO4/c1-2-12-11(14(17)18)8-13(15(19)20)16(12)9-10-6-4-3-5-7-10/h2-7,11-13H,1,8-9H2,(H,17,18)(H,19,20)/t11-,12-,13+/m0/s1
InChIKeyFUNIFILFGCFPKR-RWMBFGLXSA-N
MW275.30 g/mol
LogP1.60
Rot. Bonds5

About (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid

(2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid (PubChem CID 152761596) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name(2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid
PubChem CID152761596
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid
SMILESC=C[C@H]1[C@@H](C(=O)O)C[C@H](C(=O)O)N1Cc1ccccc1
InChIInChI=1S/C15H17NO4/c1-2-12-11(14(17)18)8-13(15(19)20)16(12)9-10-6-4-3-5-7-10/h2-7,11-13H,1,8-9H2,(H,17,18)(H,19,20)/t11-,12-,13+/m0/s1
InChIKeyFUNIFILFGCFPKR-RWMBFGLXSA-N
XLogP1.60
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692
tert-butyl (2R,5S)-1-benzyl-5-ethenyl-4-(hydroxymethyl)pyrrolidine-2-carboxylate
CID 11415866
(2R,4S)-1-benzyl-4-methoxycarbonylazetidine-2-carboxylic acid
CID 69447000
(2R,3R,5R)-5-acetyl-1-benzyl-3-methylpyrrolidine-2-carbaldehyde
CID 59910953
1-benzylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 67045968
tert-butyl (2R,4R,5S)-4-(acetyloxymethyl)-1-benzyl-5-ethenylpyrrolidine-2-carboxylate
CID 12042087
tert-butyl (4R,5R)-1-benzyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-ethenylpyrrolidine-2-carboxylate
CID 90987722
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
methyl (2S,4R)-1-benzyl-4-prop-2-enyl-5-sulfanylidenepyrrolidine-2-carboxylate
CID 11140801
(3S,7R,8aR)-2-benzyl-7-hydroxy-1-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 66972950
(1R,2S,5S)-6-benzyl-3-oxa-6-azabicyclo[3.1.1]heptane-2-carboxylic acid
CID 175950094
(2S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 175883801

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid (CID 152761596) is (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid is C=C[C@H]1[C@@H](C(=O)O)C[C@H](C(=O)O)N1Cc1ccccc1.
What is the InChIKey of (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid?
The InChIKey is FUNIFILFGCFPKR-RWMBFGLXSA-N. The full InChI is InChI=1S/C15H17NO4/c1-2-12-11(14(17)18)8-13(15(19)20)16(12)9-10-6-4-3-5-7-10/h2-7,11-13H,1,8-9H2,(H,17,18)(H,19,20)/t11-,12-,13+/m0/s1.
What are the key properties of (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid?
(2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid has a molecular weight of 275.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-1-benzyl-5-ethenylpyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 152761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).