3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

C11H17NO3 — CID 102775893

IUPAC3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H17NO3/c1-6-3-4-12(9(6)11(14)15)10(13)8-5-7(8)2/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyDOVIYSWSBJDMKX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.96
Rot. Bonds2

About 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102775893) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
PubChem CID102775893
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid
SMILESCC1CC1C(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C11H17NO3/c1-6-3-4-12(9(6)11(14)15)10(13)8-5-7(8)2/h6-9H,3-5H2,1-2H3,(H,14,15)
InChIKeyDOVIYSWSBJDMKX-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methyloxolane-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 102775119
1-(2-aminocycloheptanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780337
3-methyl-1-(2-methylcyclopentanecarbonyl)piperidine-2-carboxylic acid
CID 107175978
1-(4-hydroxypyrrolidine-2-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102780201
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
3-methyl-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 102780280
3-methyl-1-(3-methylpiperidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 107068667
1-(2,2-dimethylcyclohexanecarbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 107175956
1-(2-methylcyclopropanecarbonyl)azepane-2-carboxylic acid
CID 64560111
(2-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
CID 123276609
3-methyl-1-(morpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 104937291

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid (CID 102775893) is 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is CC1CC1C(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is DOVIYSWSBJDMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-6-3-4-12(9(6)11(14)15)10(13)8-5-7(8)2/h6-9H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylcyclopropanecarbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).