2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid

C13H22N2O3 — CID 79181595

IUPAC2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CCC(CC(=O)O)C2)CC1C
InChIInChI=1S/C13H22N2O3/c1-9-6-15(7-10(9)2)13(18)14-4-3-11(8-14)5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyQMBGISDBFSQSJR-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.49
Rot. Bonds2

About 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid

2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid (PubChem CID 79181595) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
PubChem CID79181595
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid
SMILESCC1CN(C(=O)N2CCC(CC(=O)O)C2)CC1C
InChIInChI=1S/C13H22N2O3/c1-9-6-15(7-10(9)2)13(18)14-4-3-11(8-14)5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)
InChIKeyQMBGISDBFSQSJR-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(3,4,5-trimethylpiperazine-1-carbonyl)pyrrolidin-3-yl]acetic acid
CID 114538676
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
2-[1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 114798908
2-[1-(4-ethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64617041
2-[1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]piperidin-4-yl]acetic acid
CID 81464306
2-[1-(3,5-dimethylpiperidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 64616809
2-[1-(2,6-dimethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64618204
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
2-[1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)piperidin-4-yl]acetic acid
CID 79605864
2-[1-[3-(diethylamino)pyrrolidine-1-carbonyl]azetidin-3-yl]acetic acid
CID 64618080
2-[1-(4-propan-2-ylpiperidine-1-carbonyl)piperidin-3-yl]acetic acid
CID 103500361
1-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 64599644

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid (CID 79181595) is 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid is CC1CN(C(=O)N2CCC(CC(=O)O)C2)CC1C.
What is the InChIKey of 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
The InChIKey is QMBGISDBFSQSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9-6-15(7-10(9)2)13(18)14-4-3-11(8-14)5-12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid?
2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylpyrrolidine-1-carbonyl)pyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 79181595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).