4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid

C8H14N2O4 — CID 76529635

IUPAC4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid
SMILESCN(C)C1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-9(2)5-3-6(7(11)12)10(4-5)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyQKBOXIBMPVSYAV-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.25
Rot. Bonds2

About 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid

4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 76529635) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid
PubChem CID76529635
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Name4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid
SMILESCN(C)C1CC(C(=O)O)N(C(=O)O)C1
InChIInChI=1S/C8H14N2O4/c1-9(2)5-3-6(7(11)12)10(4-5)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyQKBOXIBMPVSYAV-UHFFFAOYSA-N
XLogP-0.25
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic 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

(2S,4S)-4-[methyl(2,2,2-trichloroethoxycarbonyl)amino]pyrrolidine-1,2-dicarboxylic acid
CID 123858956
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
4-(methylamino)pyrrolidine-1,2-dicarboxylic acid
CID 22181503
(2S,4R)-4-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1,2-dicarboxylic acid
CID 170451433
(2S,4R)-4-(dimethylamino)-1-[2-[4-(trifluoromethyl)phenyl]acetyl]pyrrolidine-2-carboxylic acid
CID 118780387
(2S,4R)-4-propan-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 170164416
(2R,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999818
(2S,4R)-1-[4-(dimethylamino)piperidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63844233
(2S,4R)-4-(dimethylamino)-1-[2-[(2-fluorophenyl)methyl-methylamino]acetyl]pyrrolidine-2-carboxylic acid
CID 118784551
1-[4-(dimethylamino)-1-methylpyrrolidin-2-yl]ethanone
CID 20647920
(2S,4S)-1-[3-(dimethylamino)pyrrolidine-1-carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714131
4-(ethylamino)pyrrolidine-1,2-dicarboxylic acid
CID 175981935

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid (CID 76529635) is 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid is CN(C)C1CC(C(=O)O)N(C(=O)O)C1.
What is the InChIKey of 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is QKBOXIBMPVSYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-9(2)5-3-6(7(11)12)10(4-5)8(13)14/h5-6H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid?
4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 202.21 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 76529635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).