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

C11H21NO2 — CID 83041929

IUPAC2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCCC1(C)C
InChIInChI=1S/C11H21NO2/c1-4-6-9(10(13)14)12-8-5-7-11(12,2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeySWPYCRDVQOQMRM-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.11
Rot. Bonds4

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

2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid (PubChem CID 83041929) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
PubChem CID83041929
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1CCCC1(C)C
InChIInChI=1S/C11H21NO2/c1-4-6-9(10(13)14)12-8-5-7-11(12,2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeySWPYCRDVQOQMRM-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2-(2,2-dimethylpyrrolidin-1-yl)propanoic acid
CID 64695632
2-(3,3-dimethylpyrrolidin-1-yl)pentanoic acid
CID 83048784
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
2-(3-hydroxy-3-methylazetidin-1-yl)pentanoic acid
CID 83043746
2-(azepan-1-yl)pentanoic acid
CID 43866463
2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)pentanoic acid
CID 83042036
2-amino-3-(2,2-dimethylpyrrolidin-1-yl)butanoic acid
CID 164657593
2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
CID 82985562
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
2-(7,9-dioxo-8-azaspiro[4.5]decan-8-yl)pentanoic acid
CID 61071302

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid (CID 83041929) is 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1CCCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is SWPYCRDVQOQMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-9(10(13)14)12-8-5-7-11(12,2)3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 199.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 83041929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).