(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid

C13H21NO3 — CID 164638245

IUPAC(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H21NO3/c1-8-6-14(7-13(8,3)12(16)17)11(15)9(2)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,16,17)/t8-,9?,13-/m0/s1
InChIKeyXGKGKGICRYMVIL-LNIZJEQCSA-N
MW239.31 g/mol
LogP1.60
Rot. Bonds3

About (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid

(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 164638245) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid
PubChem CID164638245
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid
SMILESCC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1)C1CC1
InChIInChI=1S/C13H21NO3/c1-8-6-14(7-13(8,3)12(16)17)11(15)9(2)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,16,17)/t8-,9?,13-/m0/s1
InChIKeyXGKGKGICRYMVIL-LNIZJEQCSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid (CID 164638245) is (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid is CC(C(=O)N1C[C@H](C)[C@@](C)(C(=O)O)C1)C1CC1.
What is the InChIKey of (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is XGKGKGICRYMVIL-LNIZJEQCSA-N. The full InChI is InChI=1S/C13H21NO3/c1-8-6-14(7-13(8,3)12(16)17)11(15)9(2)10-4-5-10/h8-10H,4-7H2,1-3H3,(H,16,17)/t8-,9?,13-/m0/s1.
What are the key properties of (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid?
(3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-cyclopropylpropanoyl)-3,4-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 164638245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).