1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid

C11H18N2O2 — CID 164647429

IUPAC1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1CC(C)(C)C#N
InChIInChI=1S/C11H18N2O2/c1-8-9(10(14)15)4-5-13(8)7-11(2,3)6-12/h8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyCIQFGYVIWOVANG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.33
Rot. Bonds3

About 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid

1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 164647429) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID164647429
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1CC(C)(C)C#N
InChIInChI=1S/C11H18N2O2/c1-8-9(10(14)15)4-5-13(8)7-11(2,3)6-12/h8-9H,4-5,7H2,1-3H3,(H,14,15)
InChIKeyCIQFGYVIWOVANG-UHFFFAOYSA-N
XLogP1.33
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid (CID 164647429) is 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1CC(C)(C)C#N.
What is the InChIKey of 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CIQFGYVIWOVANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-9(10(14)15)4-5-13(8)7-11(2,3)6-12/h8-9H,4-5,7H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 210.28 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-2-methylpropyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164647429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).