2-(2,5-dimethylpyrrolidin-1-yl)acetic acid

C8H15NO2 — CID 21332271

IUPAC2-(2,5-dimethylpyrrolidin-1-yl)acetic acid
SMILESCC1CCC(C)N1CC(=O)O
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(2)9(6)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyOASXJQXXBOTLPU-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.94
Rot. Bonds2

About 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid

2-(2,5-dimethylpyrrolidin-1-yl)acetic acid (PubChem CID 21332271) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethylpyrrolidin-1-yl)acetic acid
PubChem CID21332271
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-(2,5-dimethylpyrrolidin-1-yl)acetic acid
SMILESCC1CCC(C)N1CC(=O)O
InChIInChI=1S/C8H15NO2/c1-6-3-4-7(2)9(6)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyOASXJQXXBOTLPU-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Pyrrolidin-1-ylpropanoic acid
CID 3157177
2-[Cyclopentyl(methyl)amino]acetic acid
CID 28064656
2-(Pyrrolidin-1-yl)propanoic acid hydrochloride
CID 45074903
2-(2-Methylpyrrolidin-1-yl)acetic acid hydrochloride
CID 67010786
2-(1-Methylpyrrolidin-1-ium-1-yl)acetic acid
CID 10352272
N-cyclohexyl-N-methylglycine
CID 23221497
2-(2,5-Dimethylpyrrolidin-1-yl)propanoic acid
CID 45792273
2-[Cyclopentyl(methyl)amino]acetic acid hydrochloride
CID 137318121
2-(2-Methylpyrrolidin-1-yl)acetic acid
CID 54594852
2-[(4-Fluoro-1-methylpyrrolidin-2-yl)methyl-methylamino]acetic acid
CID 139341845
1-(Carboxymethyl)-1-pentylpyrrolidin-1-ium bromide
CID 168301789
2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid
CID 130704061

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid (CID 21332271) is 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid is CC1CCC(C)N1CC(=O)O.
What is the InChIKey of 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid?
The InChIKey is OASXJQXXBOTLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6-3-4-7(2)9(6)5-8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid?
2-(2,5-dimethylpyrrolidin-1-yl)acetic acid has a molecular weight of 157.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 21332271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).