2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid

C11H21NO2 — CID 82397657

IUPAC2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid
SMILESCC(C)(C)C[C@H]1NCC[C@@H]1CC(=O)O
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-9-8(4-5-12-9)6-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyWGHVGUGDGGPLCX-RKDXNWHRSA-N
MW199.29 g/mol
LogP1.88
Rot. Bonds3

About 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid

2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid (PubChem CID 82397657) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid
PubChem CID82397657
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid
SMILESCC(C)(C)C[C@H]1NCC[C@@H]1CC(=O)O
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-9-8(4-5-12-9)6-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyWGHVGUGDGGPLCX-RKDXNWHRSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethyl)pyrrolidin-3-yl]acetic acid
CID 83831293
2-[3-(2,2-dimethylpropyl)pyrrolidin-2-yl]ethanamine
CID 82602050
2-[(1R,2S)-2-(carboxymethyl)cyclobutyl]acetic acid
CID 11401026
3-(2-ethylpyrrolidin-3-yl)propanoic acid;hydrochloride
CID 174214436
2-[(2S,3R)-2-(4-methylphenyl)pyrrolidin-3-yl]acetic acid
CID 96609094
2-[(2R,3R)-2-cyclopropylpiperidin-3-yl]acetic acid
CID 96627378
2-[(2R,3R)-2-cyclopentylazepan-3-yl]acetic acid
CID 96603790
2-[(2S,3R)-2-(3,4-dimethylphenyl)pyrrolidin-3-yl]acetic acid
CID 96597751
2-(3-propylpiperidin-4-yl)acetic acid
CID 84660229
2-[2-(aminomethyl)cyclobutyl]acetic acid
CID 129286668
(2R,3R)-3-ethylpyrrolidine-2-carboxylic acid
CID 10154109
3,3-dimethylbutanoic acid;yttrium
CID 59798482

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid (CID 82397657) is 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid is CC(C)(C)C[C@H]1NCC[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is WGHVGUGDGGPLCX-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)7-9-8(4-5-12-9)6-10(13)14/h8-9,12H,4-7H2,1-3H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid?
2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-2-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 82397657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).