3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid

C11H19NO2 — CID 64528337

IUPAC3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(C1CC1)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-11(8-10(13)14,9-4-5-9)12-6-2-3-7-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyFLDQSFTVAYYSFD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.73
Rot. Bonds4

About 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid

3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid (PubChem CID 64528337) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
PubChem CID64528337
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid
SMILESCC(CC(=O)O)(C1CC1)N1CCCC1
InChIInChI=1S/C11H19NO2/c1-11(8-10(13)14,9-4-5-9)12-6-2-3-7-12/h9H,2-8H2,1H3,(H,13,14)
InChIKeyFLDQSFTVAYYSFD-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
3-amino-3-cyclopentylbutanoic acid
CID 55295139
(3R)-3-amino-3-cyclopentylbutanoic acid
CID 55294909
3-methyl-3-pyrrolidin-1-ylhexanoic acid
CID 64528524
2-(azepan-1-yl)-2-cyclopropylbutanoic acid
CID 64919136
3-(azepan-1-yl)-3-methylhexanoic acid
CID 64527906
2-cyclohexyl-2-pyrrolidin-1-ylpropan-1-amine
CID 84723205
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
3-(2,3-dimethylpiperidin-1-yl)-3-methylbutanoic acid
CID 164650528
1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056596
3-(azepan-1-yl)-5-methyl-3-(2-methylpropyl)hexanoic acid
CID 114866800
3,3-dicyclopropyl-3-hydroxypropanoic acid
CID 18626409

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid?
The IUPAC name of 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid (CID 64528337) is 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid?
The canonical SMILES for 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid is CC(CC(=O)O)(C1CC1)N1CCCC1.
What is the InChIKey of 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid?
The InChIKey is FLDQSFTVAYYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(8-10(13)14,9-4-5-9)12-6-2-3-7-12/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid?
3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid has a molecular weight of 197.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-pyrrolidin-1-ylbutanoic acid is sourced from PubChem (CID 64528337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).