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

C13H22N2O3 — CID 63219243

IUPAC2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC1(C)CCCN1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O3/c1-13(2)6-4-8-15(13)12(18)14-7-3-5-10(14)9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyCOGMZKFILSCTCD-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.92
Rot. Bonds2

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

2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 63219243) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID63219243
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESCC1(C)CCCN1C(=O)N1CCCC1CC(=O)O
InChIInChI=1S/C13H22N2O3/c1-13(2)6-4-8-15(13)12(18)14-7-3-5-10(14)9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17)
InChIKeyCOGMZKFILSCTCD-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61428037
(2S)-1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 63218947
2-[1-(4-acetylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370184
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[1-(4-aminopiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61403064
2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
2-[1-(2,4-dimethylpiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 62332214
2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 114538816
2-[1-(4-methoxypiperidine-1-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370775
2-ethyl-1-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 83071062

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid (CID 63219243) is 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid is CC1(C)CCCN1C(=O)N1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is COGMZKFILSCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(2)6-4-8-15(13)12(18)14-7-3-5-10(14)9-11(16)17/h10H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylpyrrolidine-1-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63219243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).