(2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

C8H13NO2 — CID 45084840

IUPAC(2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
SMILESC=C(C)[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h6-7,9H,1,3-4H2,2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyZHJAYBVPHIYUEA-BQBZGAKWSA-N
MW155.20 g/mol
LogP0.63
Rot. Bonds2

About (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

(2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid (PubChem CID 45084840) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
PubChem CID45084840
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid
SMILESC=C(C)[C@@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h6-7,9H,1,3-4H2,2H3,(H,10,11)/t6-,7-/m0/s1
InChIKeyZHJAYBVPHIYUEA-BQBZGAKWSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.63
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-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid (CID 45084840) is (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid is C=C(C)[C@@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
The InChIKey is ZHJAYBVPHIYUEA-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)6-3-7(8(10)11)9-4-6/h6-7,9H,1,3-4H2,2H3,(H,10,11)/t6-,7-/m0/s1.
What are the key properties of (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid?
(2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 45084840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).