2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid

C12H19NO3 — CID 115730377

IUPAC2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCCC1CCN(C(=O)C2CC2C(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-2-3-8-4-5-13(7-8)11(14)9-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyXZBIDJKDVBMZOS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.36
Rot. Bonds4

About 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid

2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 115730377) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID115730377
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid
SMILESCCCC1CCN(C(=O)C2CC2C(=O)O)C1
InChIInChI=1S/C12H19NO3/c1-2-3-8-4-5-13(7-8)11(14)9-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyXZBIDJKDVBMZOS-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid (CID 115730377) is 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid is CCCC1CCN(C(=O)C2CC2C(=O)O)C1.
What is the InChIKey of 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is XZBIDJKDVBMZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-8-4-5-13(7-8)11(14)9-6-10(9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid?
2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propylpyrrolidine-1-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115730377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).