2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid

C11H21NO2 — CID 58530414

IUPAC2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)CC1CCCN1CC(=O)O
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-9-5-4-6-12(9)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOWINSWVHOFJHIY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid

2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid (PubChem CID 58530414) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
PubChem CID58530414
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid
SMILESCC(C)(C)CC1CCCN1CC(=O)O
InChIInChI=1S/C11H21NO2/c1-11(2,3)7-9-5-4-6-12(9)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyOWINSWVHOFJHIY-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(2-tert-butylpyrrolidin-1-yl)acetic acid
CID 67953205
2-[(2R)-2-[[cyclopropyl(methyl)amino]methyl]pyrrolidin-1-yl]acetic acid
CID 96554925
2-[2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566406
2-[2-[[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 121230344
2-[2-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidin-1-yl]acetic acid
CID 66566450
(2S)-2-(2,2-dimethylpropyl)-1-(2-fluoroethyl)pyrrolidine;methane
CID 165013816
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetonitrile
CID 126988793
2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
CID 42614535
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]methyl]pyrrolidin-1-yl]acetic acid
CID 96553811
3-[[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]methyl]furan-2-carboxylic acid
CID 138045770
2-[(2R)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]acetic acid
CID 96553784
2-[2-(acetamidomethyl)piperidin-1-yl]acetic acid
CID 66567736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid (CID 58530414) is 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid is CC(C)(C)CC1CCCN1CC(=O)O.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid?
The InChIKey is OWINSWVHOFJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-11(2,3)7-9-5-4-6-12(9)8-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid?
2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)pyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 58530414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).