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

C10H19NO2 — CID 79370819

IUPAC2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCC(C(=O)O)C1C
InChIInChI=1S/C10H19NO2/c1-7(2)6-11-5-4-9(8(11)3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyXSGSMFPVGVWUAI-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds3

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

2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid (PubChem CID 79370819) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
PubChem CID79370819
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)CN1CCC(C(=O)O)C1C
InChIInChI=1S/C10H19NO2/c1-7(2)6-11-5-4-9(8(11)3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyXSGSMFPVGVWUAI-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid (CID 79370819) is 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid is CC(C)CN1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XSGSMFPVGVWUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)6-11-5-4-9(8(11)3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).