2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid

C11H19NO2 — CID 117017329

IUPAC2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
SMILESCC1(C)C(CC(=O)O)CCN1C1CC1
InChIInChI=1S/C11H19NO2/c1-11(2)8(7-10(13)14)5-6-12(11)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyUVOIDBBJKJDCEH-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.72
Rot. Bonds3

About 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid

2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid (PubChem CID 117017329) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
PubChem CID117017329
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
SMILESCC1(C)C(CC(=O)O)CCN1C1CC1
InChIInChI=1S/C11H19NO2/c1-11(2)8(7-10(13)14)5-6-12(11)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyUVOIDBBJKJDCEH-UHFFFAOYSA-N
XLogP1.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-dimethyl-1-propylpyrrolidin-3-yl)acetic acid
CID 117017328
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017387
2-(1-cyclopentyl-2,2-dimethylpyrrolidin-3-yl)ethanol
CID 117017392
2-(1-benzyl-2,2-dimethylpyrrolidin-3-yl)acetic acid
CID 83851242
2-[1-(4-chlorophenyl)-2,2-dimethylpyrrolidin-3-yl]acetic acid
CID 117017368
2-(3,3-dimethyl-1-pentylpiperidin-4-yl)acetic acid
CID 117024642
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
2-(1-cycloheptyl-4,4-dimethylpiperidin-3-yl)acetic acid
CID 117025539
2-[3,3-dimethyl-1-(2-methylphenyl)piperidin-4-yl]acetic acid
CID 117024644
2-[2,2-dimethyl-1-[(1R,2R)-2-pyridin-4-ylcyclopropanecarbonyl]pyrrolidin-3-yl]acetic acid
CID 154854815

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid (CID 117017329) is 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid is CC1(C)C(CC(=O)O)CCN1C1CC1.
What is the InChIKey of 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
The InChIKey is UVOIDBBJKJDCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(2)8(7-10(13)14)5-6-12(11)9-3-4-9/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid?
2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid has a molecular weight of 197.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-2,2-dimethylpyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 117017329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).