(2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid

C15H25NO4 — CID 58275614

IUPAC(2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid
SMILESC=CCCCCC[C@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C15H25NO4/c1-3-4-5-6-7-8-11(2)14(18)16-10-12(17)9-13(16)15(19)20/h3,11-13,17H,1,4-10H2,2H3,(H,19,20)/t11-,12-,13-/m0/s1
InChIKeyJUWFASGJTFLWJR-AVGNSLFASA-N
MW283.37 g/mol
LogP1.81
Rot. Bonds8

About (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid (PubChem CID 58275614) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid
PubChem CID58275614
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name(2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid
SMILESC=CCCCCC[C@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C15H25NO4/c1-3-4-5-6-7-8-11(2)14(18)16-10-12(17)9-13(16)15(19)20/h3,11-13,17H,1,4-10H2,2H3,(H,19,20)/t11-,12-,13-/m0/s1
InChIKeyJUWFASGJTFLWJR-AVGNSLFASA-N
XLogP1.81
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-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 (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid (CID 58275614) is (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid is C=CCCCCC[C@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JUWFASGJTFLWJR-AVGNSLFASA-N. The full InChI is InChI=1S/C15H25NO4/c1-3-4-5-6-7-8-11(2)14(18)16-10-12(17)9-13(16)15(19)20/h3,11-13,17H,1,4-10H2,2H3,(H,19,20)/t11-,12-,13-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-[(2S)-2-methylnon-8-enoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 58275614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).