3-methylpyrrolidine-1,3-dicarboxylic acid

C7H11NO4 — CID 23111893

IUPAC3-methylpyrrolidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-7(5(9)10)2-3-8(4-7)6(11)12/h2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyAYYSIQXKSVIMNE-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.46
Rot. Bonds1

About 3-methylpyrrolidine-1,3-dicarboxylic acid

3-methylpyrrolidine-1,3-dicarboxylic acid (PubChem CID 23111893) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 3-methylpyrrolidine-1,3-dicarboxylic acid.

Molecular Properties

Compound Name3-methylpyrrolidine-1,3-dicarboxylic acid
PubChem CID23111893
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name3-methylpyrrolidine-1,3-dicarboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)O)C1
InChIInChI=1S/C7H11NO4/c1-7(5(9)10)2-3-8(4-7)6(11)12/h2-4H2,1H3,(H,9,10)(H,11,12)
InChIKeyAYYSIQXKSVIMNE-UHFFFAOYSA-N
XLogP0.46
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
1-(cyclobutanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63143159
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(3-amino-2,2,3-trimethylbutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65267054
1-(cyclohexanecarbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166325
1-(2-tert-butylsulfanylacetyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55164784
1-(3,5-dioxopiperazine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 66061829
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
1-(4-aminobutanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144724
1-[2-(methanesulfonamido)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149485
1-(4-aminocyclopent-2-ene-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79207238
3-methyl-1-[(1-methylcyclopentyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63829455

Frequently Asked Questions

What is the IUPAC name of 3-methylpyrrolidine-1,3-dicarboxylic acid?
The IUPAC name of 3-methylpyrrolidine-1,3-dicarboxylic acid (CID 23111893) is 3-methylpyrrolidine-1,3-dicarboxylic acid.
What is the SMILES notation for 3-methylpyrrolidine-1,3-dicarboxylic acid?
The canonical SMILES for 3-methylpyrrolidine-1,3-dicarboxylic acid is CC1(C(=O)O)CCN(C(=O)O)C1.
What is the InChIKey of 3-methylpyrrolidine-1,3-dicarboxylic acid?
The InChIKey is AYYSIQXKSVIMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-7(5(9)10)2-3-8(4-7)6(11)12/h2-4H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 3-methylpyrrolidine-1,3-dicarboxylic acid?
3-methylpyrrolidine-1,3-dicarboxylic acid has a molecular weight of 173.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpyrrolidine-1,3-dicarboxylic acid is sourced from PubChem (CID 23111893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).