(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid

C11H19NO3 — CID 68984326

IUPAC(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)C/C=C/[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)4-3-5-9-6-10(13)7-12(9)11(14)15/h3,5,8-10,13H,4,6-7H2,1-2H3,(H,14,15)/b5-3+/t9-,10-/m1/s1
InChIKeyCJCQYIHYNWLVKY-OTIHIVFHSA-N
MW213.28 g/mol
LogP1.70
Rot. Bonds3

About (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid

(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid (PubChem CID 68984326) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid
PubChem CID68984326
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)C/C=C/[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)4-3-5-9-6-10(13)7-12(9)11(14)15/h3,5,8-10,13H,4,6-7H2,1-2H3,(H,14,15)/b5-3+/t9-,10-/m1/s1
InChIKeyCJCQYIHYNWLVKY-OTIHIVFHSA-N
XLogP1.70
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid (CID 68984326) is (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid is CC(C)C/C=C/[C@@H]1C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid?
The InChIKey is CJCQYIHYNWLVKY-OTIHIVFHSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)4-3-5-9-6-10(13)7-12(9)11(14)15/h3,5,8-10,13H,4,6-7H2,1-2H3,(H,14,15)/b5-3+/t9-,10-/m1/s1.
What are the key properties of (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid?
(2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-hydroxy-2-[(E)-4-methylpent-1-enyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68984326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).