2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid

C11H21NO2 — CID 83048784

IUPAC2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-5-9(10(13)14)12-7-6-11(2,3)8-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRGXSJGGDWXOLQO-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid

2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid (PubChem CID 83048784) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid
PubChem CID83048784
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCC(C)(C)C1
InChIInChI=1S/C11H21NO2/c1-4-5-9(10(13)14)12-7-6-11(2,3)8-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyRGXSJGGDWXOLQO-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Related Compounds

2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
CID 83043746
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-[4-(1-cyanobutyl)piperazin-1-yl]pentanoic acid
CID 83041979
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83041929
2-[4-(1-carboxybutyl)-7,10-bis(1-carboxylatobutyl)-1,4,7,10-tetrazacyclododec-1-yl]pentanoate
CID 23528355
2-(4-methylpiperidin-1-yl)pentanoic acid
CID 43866458
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)pentanoic acid
CID 83049899
2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]pentanoic acid
CID 163915951
2-[4-(hydroxymethyl)piperidin-1-yl]pentanoic acid
CID 83040756
2-(3,3-dimethylpiperidin-1-yl)-3-methoxypropanoic acid
CID 103224775
2-(3-propylazetidin-1-yl)pentanoic acid
CID 79695238
2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)pentanoic acid
CID 62931902

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid (CID 83048784) is 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CCC(C)(C)C1.
What is the InChIKey of 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is RGXSJGGDWXOLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-5-9(10(13)14)12-7-6-11(2,3)8-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid?
2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 83048784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).