3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid

C12H21NO2 — CID 130646219

IUPAC3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC1CC1C(C)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H21NO2/c1-7-4-5-13(11(7)12(14)15)9(3)10-6-8(10)2/h7-11H,4-6H2,1-3H3,(H,14,15)
InChIKeyIZHXPCGJTHXEPT-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.83
Rot. Bonds3

About 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 130646219) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID130646219
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCC1CC1C(C)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H21NO2/c1-7-4-5-13(11(7)12(14)15)9(3)10-6-8(10)2/h7-11H,4-6H2,1-3H3,(H,14,15)
InChIKeyIZHXPCGJTHXEPT-UHFFFAOYSA-N
XLogP1.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102787164
3-methyl-1-(4-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 102787242
3-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 102787447
1-[1-(1-adamantyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786810
1-(1-cyclobutylpropan-2-yl)-3-methylpyrrolidine-2-carboxylic acid
CID 102786655
3-methyl-1-(3-propan-2-ylcyclobutyl)pyrrolidine-2-carboxylic acid
CID 103565254
1-[1-(4-chlorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786963
1-[1-(4-bromophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786474
1-[1-(2,6-difluorophenyl)ethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786586
1-(1-amino-1-oxopropan-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107072433
3-methyl-1-[1-(1-methylpyrazol-4-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 102787172
3-methyl-1-(2-methylsulfonylpropanoyl)pyrrolidine-2-carboxylic acid
CID 102776307

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid (CID 130646219) is 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid is CC1CC1C(C)N1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is IZHXPCGJTHXEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-7-4-5-13(11(7)12(14)15)9(3)10-6-8(10)2/h7-11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[1-(2-methylcyclopropyl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 130646219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).