(2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid

C10H15NO3 — CID 54348414

IUPAC(2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@@H]1C[C@@H](C(=O)O)N(C(C)=O)C1
InChIInChI=1S/C10H15NO3/c1-3-4-8-5-9(10(13)14)11(6-8)7(2)12/h3,8-9H,1,4-6H2,2H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyUDYAMYFUGBWFOY-BDAKNGLRSA-N
MW197.23 g/mol
LogP0.88
Rot. Bonds3

About (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid

(2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid (PubChem CID 54348414) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid
PubChem CID54348414
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid
SMILESC=CC[C@@H]1C[C@@H](C(=O)O)N(C(C)=O)C1
InChIInChI=1S/C10H15NO3/c1-3-4-8-5-9(10(13)14)11(6-8)7(2)12/h3,8-9H,1,4-6H2,2H3,(H,13,14)/t8-,9+/m1/s1
InChIKeyUDYAMYFUGBWFOY-BDAKNGLRSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
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)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid (CID 54348414) is (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid is C=CC[C@@H]1C[C@@H](C(=O)O)N(C(C)=O)C1.
What is the InChIKey of (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid?
The InChIKey is UDYAMYFUGBWFOY-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-8-5-9(10(13)14)11(6-8)7(2)12/h3,8-9H,1,4-6H2,2H3,(H,13,14)/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid?
(2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid has a molecular weight of 197.23 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-acetyl-4-prop-2-enylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54348414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).