(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid

C15H25NO2 — CID 122572708

IUPAC(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H25NO2/c1-12(2)6-4-7-13(3)9-11-16-10-5-8-14(16)15(17)18/h6,9,14H,4-5,7-8,10-11H2,1-3H3,(H,17,18)/b13-9+/t14-/m0/s1
InChIKeyHHSGZQQWAXEOHS-SSUFTNFISA-N
MW251.37 g/mol
LogP3.23
Rot. Bonds6

About (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid (PubChem CID 122572708) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid
PubChem CID122572708
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid
SMILESCC(C)=CCC/C(C)=C/CN1CCC[C@H]1C(=O)O
InChIInChI=1S/C15H25NO2/c1-12(2)6-4-7-13(3)9-11-16-10-5-8-14(16)15(17)18/h6,9,14H,4-5,7-8,10-11H2,1-3H3,(H,17,18)/b13-9+/t14-/m0/s1
InChIKeyHHSGZQQWAXEOHS-SSUFTNFISA-N
XLogP3.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]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

Related Compounds

methyl (2S)-1-[(E,3S)-hept-4-en-3-yl]pyrrolidine-2-carboxylate
CID 154721737
(2S)-4-ethylidene-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 67386721
3-Methyl-4-ethylideneproline
CID 91212199
N-arachidonoyl proline
CID 139207924
4-[(Z)-prop-1-enyl]-1-propylpyrrolidine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 159388283
(2S)-1-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 101234963
(2S)-1-(cyclopenten-1-yl)pyrrolidine-2-carboxylic acid
CID 134850380
(2S)-1-[(5R)-5-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134850992
(2S)-1-(2-methylcyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 134853793
(2S)-1-[(4S)-4-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853798
(2S)-1-[(3S)-3-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853838
(2S)-1-[(3R)-3-methylcyclohexen-1-yl]pyrrolidine-2-carboxylic acid
CID 134853962

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid (CID 122572708) is (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid is CC(C)=CCC/C(C)=C/CN1CCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HHSGZQQWAXEOHS-SSUFTNFISA-N. The full InChI is InChI=1S/C15H25NO2/c1-12(2)6-4-7-13(3)9-11-16-10-5-8-14(16)15(17)18/h6,9,14H,4-5,7-8,10-11H2,1-3H3,(H,17,18)/b13-9+/t14-/m0/s1.
What are the key properties of (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid has a molecular weight of 251.37 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122572708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).