2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid

C11H21NO2 — CID 117017328

IUPAC2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
SMILESCCCN1CCC(CC(=O)O)C1(C)C
InChIInChI=1S/C11H21NO2/c1-4-6-12-7-5-9(8-10(13)14)11(12,2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOAEXYGWNJSQYQP-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

About 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid

2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid (PubChem CID 117017328) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
PubChem CID117017328
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
SMILESCCCN1CCC(CC(=O)O)C1(C)C
InChIInChI=1S/C11H21NO2/c1-4-6-12-7-5-9(8-10(13)14)11(12,2)3/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOAEXYGWNJSQYQP-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-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 83851242
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 117017329
1-(2,2-dimethyl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
CID 117017786
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
CID 117024642
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
2-(1-propylpiperidin-4-yl)acetic acid;hydrochloride
CID 75530728
2-(1-butyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025523
2-(1,3-dimethylimidazolidin-2-yl)acetic acid
CID 96634354
[1-(2-methoxyethyl)-2,2-dimethylpyrrolidin-3-yl]methanol
CID 117017703
2-[1-[3-(dimethylamino)propyl]-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024633
2-[1-(3-bromophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017376
2-[1-(3-methoxypropyl)-3,3-dimethylpiperidin-4-yl]acetic acid
CID 117024630

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid (CID 117017328) is 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid is CCCN1CCC(CC(=O)O)C1(C)C.
What is the InChIKey of 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid?
The InChIKey is OAEXYGWNJSQYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-6-12-7-5-9(8-10(13)14)11(12,2)3/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid?
2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic 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-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 117017328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).