3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid

C9H13NO4 — CID 91307252

IUPAC3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid
SMILESC=C1CN(C(=O)O)C(C(=O)O)C1(C)C
InChIInChI=1S/C9H13NO4/c1-5-4-10(8(13)14)6(7(11)12)9(5,2)3/h6H,1,4H2,2-3H3,(H,11,12)(H,13,14)
InChIKeyZNOQLADXPAMOAC-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.02
Rot. Bonds1

About 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid

3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid (PubChem CID 91307252) has the molecular formula C9H13NO4 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid
PubChem CID91307252
Molecular FormulaC9H13NO4
Molecular Weight199.21 g/mol
Exact Mass199.08
IUPAC Name3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid
SMILESC=C1CN(C(=O)O)C(C(=O)O)C1(C)C
InChIInChI=1S/C9H13NO4/c1-5-4-10(8(13)14)6(7(11)12)9(5,2)3/h6H,1,4H2,2-3H3,(H,11,12)(H,13,14)
InChIKeyZNOQLADXPAMOAC-UHFFFAOYSA-N
XLogP1.02
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-4-methylidenepyrrolidine-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)-4-prop-1-en-2-yl-2,5-dihydropyrrole-1,2-dicarboxylic acid
CID 170165570
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
3,5,5-trimethyl-1,3-thiazolidine-4-carboxylic acid
CID 89049247
(4S)-5,5-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 17040129
5-bromo-2-tert-butyl-3,3-dimethyl-4-oxopiperidine-1-carboxylic acid
CID 152726112
1-hydroxy-2,2-dimethyl-6-methylidenepiperidine-4-carboxylic acid
CID 89178801
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
(2S,5R)-3-ethenyl-3-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
CID 67934131
(2R)-2,4-dimethyl-5-oxopiperazine-1-carboxylic acid
CID 177212552
3,3-dimethyl-5-methylidenepyrrolidine-2-carboxylic acid
CID 54194765
6,6-dimethyl-2-methylidenebicyclo[3.1.0]hexane-1-carboxylic acid
CID 14321814

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid (CID 91307252) is 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid is C=C1CN(C(=O)O)C(C(=O)O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid?
The InChIKey is ZNOQLADXPAMOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4/c1-5-4-10(8(13)14)6(7(11)12)9(5,2)3/h6H,1,4H2,2-3H3,(H,11,12)(H,13,14).
What are the key properties of 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid?
3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid has a molecular weight of 199.21 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylidenepyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 91307252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).