4-methyl-3-pyrrolidin-1-ylhexanoic acid

C11H21NO2 — CID 64527753

IUPAC4-methyl-3-pyrrolidin-1-ylhexanoic acid
SMILESCCC(C)C(CC(=O)O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)10(8-11(13)14)12-6-4-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYXXWCTCEMWOPDD-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds5

About 4-methyl-3-pyrrolidin-1-ylhexanoic acid

4-methyl-3-pyrrolidin-1-ylhexanoic acid (PubChem CID 64527753) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 4-methyl-3-pyrrolidin-1-ylhexanoic acid.

Molecular Properties

Compound Name4-methyl-3-pyrrolidin-1-ylhexanoic acid
PubChem CID64527753
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name4-methyl-3-pyrrolidin-1-ylhexanoic acid
SMILESCCC(C)C(CC(=O)O)N1CCCC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)10(8-11(13)14)12-6-4-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyYXXWCTCEMWOPDD-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-3-pyrrolidin-1-ylhexanoic 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-methyl-4-piperidin-1-ylpentanoic acid
CID 82397674
3-methyl-2-pyrrolidin-1-ylpentanoic acid
CID 23008915
4-phenyl-3-piperidin-1-ylpentanoic acid
CID 64526249
4-methyl-3-(4-methylpiperazin-1-yl)pentanoic acid
CID 65422292
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
2-(azocan-1-yl)butanoic acid
CID 43808973
3-[ethyl(2-piperidin-1-ylpropylcarbamoyl)amino]butanoic acid
CID 62827708
(2R,3S)-3-methyl-2-(pyrrolidine-1-carbonylamino)pentanoic acid
CID 51420775
3-pyrrolidin-1-yldecanoic acid
CID 64526772
methyl 3-piperidin-1-ylpentanoate
CID 14178339
3-(azepan-1-ylmethyl)pentanoic acid
CID 81071515
3-piperidin-1-ylnonanoic acid
CID 64527594

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-pyrrolidin-1-ylhexanoic acid?
The IUPAC name of 4-methyl-3-pyrrolidin-1-ylhexanoic acid (CID 64527753) is 4-methyl-3-pyrrolidin-1-ylhexanoic acid.
What is the SMILES notation for 4-methyl-3-pyrrolidin-1-ylhexanoic acid?
The canonical SMILES for 4-methyl-3-pyrrolidin-1-ylhexanoic acid is CCC(C)C(CC(=O)O)N1CCCC1.
What is the InChIKey of 4-methyl-3-pyrrolidin-1-ylhexanoic acid?
The InChIKey is YXXWCTCEMWOPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9(2)10(8-11(13)14)12-6-4-5-7-12/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-3-pyrrolidin-1-ylhexanoic acid?
4-methyl-3-pyrrolidin-1-ylhexanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-pyrrolidin-1-ylhexanoic acid is sourced from PubChem (CID 64527753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).