(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid

C11H19NO2 — CID 117267337

IUPAC(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid
SMILESCC(C)N1CCC(/C=C\CC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-9(2)12-7-6-10(8-12)4-3-5-11(13)14/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/b4-3-
InChIKeyGGTCYWUUWDAITF-ARJAWSKDSA-N
MW197.28 g/mol
LogP1.75
Rot. Bonds4

About (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid

(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid (PubChem CID 117267337) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid.

Molecular Properties

Compound Name(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid
PubChem CID117267337
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid
SMILESCC(C)N1CCC(/C=C\CC(=O)O)C1
InChIInChI=1S/C11H19NO2/c1-9(2)12-7-6-10(8-12)4-3-5-11(13)14/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/b4-3-
InChIKeyGGTCYWUUWDAITF-ARJAWSKDSA-N
XLogP1.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.75
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 (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid?
The IUPAC name of (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid (CID 117267337) is (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid.
What is the SMILES notation for (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid?
The canonical SMILES for (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid is CC(C)N1CCC(/C=C\CC(=O)O)C1.
What is the InChIKey of (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid?
The InChIKey is GGTCYWUUWDAITF-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9(2)12-7-6-10(8-12)4-3-5-11(13)14/h3-4,9-10H,5-8H2,1-2H3,(H,13,14)/b4-3-.
What are the key properties of (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid?
(Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-propan-2-ylpyrrolidin-3-yl)but-3-enoic acid is sourced from PubChem (CID 117267337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).