1-methylpyrrolidine-2,2-dicarboxylic acid

C7H11NO4 — CID 83669888

IUPAC1-methylpyrrolidine-2,2-dicarboxylic acid
SMILESCN1CCCC1(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-8-4-2-3-7(8,5(9)10)6(11)12/h2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyJMOGSNZAECENOW-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.38
Rot. Bonds2

About 1-methylpyrrolidine-2,2-dicarboxylic acid

1-methylpyrrolidine-2,2-dicarboxylic acid (PubChem CID 83669888) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 1-methylpyrrolidine-2,2-dicarboxylic acid.

Molecular Properties

Compound Name1-methylpyrrolidine-2,2-dicarboxylic acid
PubChem CID83669888
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name1-methylpyrrolidine-2,2-dicarboxylic acid
SMILESCN1CCCC1(C(=O)O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-8-4-2-3-7(8,5(9)10)6(11)12/h2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyJMOGSNZAECENOW-UHFFFAOYSA-N
XLogP-0.38
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-methyl-2-(3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 87905712
methyl (2R)-2-(1-hydroxyethenyl)-1-methylpyrrolidine-2-carboxylate
CID 163529302
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704
1,2,3,3-tetramethylpiperidine-2-carboxamide
CID 175521900
(2R)-1,2-dimethylazetidine-2-carboxylic acid;hydrochloride
CID 70559346
2-hexyl-1-methylpyrrolidine-2-carboxylic acid
CID 68621509
1-(1-methyl-1,8-diazaspiro[4.5]decan-8-yl)ethanone
CID 167748233
[(2R)-1,2-dimethylpyrrolidin-2-yl]methanol
CID 141207857
1-(5-methyl-2,5-diazaspiro[3.4]octan-2-yl)ethanone
CID 166543592
acetic acid;carbonocyanidic acid;tris(1,2,2,3,3-pentamethylpiperidine)
CID 175423936
(2S)-2-methoxycarbonyl-1-pentylpyrrolidine-2-carboxylic acid
CID 174784568
1,8-dimethyl-1,8-diazaspiro[3.4]octane
CID 59187033

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrolidine-2,2-dicarboxylic acid?
The IUPAC name of 1-methylpyrrolidine-2,2-dicarboxylic acid (CID 83669888) is 1-methylpyrrolidine-2,2-dicarboxylic acid.
What is the SMILES notation for 1-methylpyrrolidine-2,2-dicarboxylic acid?
The canonical SMILES for 1-methylpyrrolidine-2,2-dicarboxylic acid is CN1CCCC1(C(=O)O)C(=O)O.
What is the InChIKey of 1-methylpyrrolidine-2,2-dicarboxylic acid?
The InChIKey is JMOGSNZAECENOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-8-4-2-3-7(8,5(9)10)6(11)12/h2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 1-methylpyrrolidine-2,2-dicarboxylic acid?
1-methylpyrrolidine-2,2-dicarboxylic acid has a molecular weight of 173.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrolidine-2,2-dicarboxylic acid is sourced from PubChem (CID 83669888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).