(2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid

C7H10N2O2 — CID 91245077

IUPAC(2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(C#N)CN1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5-2-6(3-8)4-9(5)7(10)11/h5-6H,2,4H2,1H3,(H,10,11)/t5-,6?/m1/s1
InChIKeyPKUFYKZFAIUHSV-LWOQYNTDSA-N
MW154.17 g/mol
LogP0.90
Rot. Bonds

About (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid

(2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid (PubChem CID 91245077) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid
PubChem CID91245077
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid
SMILESC[C@@H]1CC(C#N)CN1C(=O)O
InChIInChI=1S/C7H10N2O2/c1-5-2-6(3-8)4-9(5)7(10)11/h5-6H,2,4H2,1H3,(H,10,11)/t5-,6?/m1/s1
InChIKeyPKUFYKZFAIUHSV-LWOQYNTDSA-N
XLogP0.90
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid (CID 91245077) is (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid is C[C@@H]1CC(C#N)CN1C(=O)O.
What is the InChIKey of (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid?
The InChIKey is PKUFYKZFAIUHSV-LWOQYNTDSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-2-6(3-8)4-9(5)7(10)11/h5-6H,2,4H2,1H3,(H,10,11)/t5-,6?/m1/s1.
What are the key properties of (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid?
(2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid has a molecular weight of 154.17 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-cyano-2-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 91245077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).