(2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide

C13H19N3O — CID 110138640

IUPAC(2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide
SMILESCN(C)[C@@H]1C[C@@H](C(N)=O)N[C@H]1c1ccccc1
InChIInChI=1S/C13H19N3O/c1-16(2)11-8-10(13(14)17)15-12(11)9-6-4-3-5-7-9/h3-7,10-12,15H,8H2,1-2H3,(H2,14,17)/t10-,11+,12-/m0/s1
InChIKeySVROTRBWMBZJLJ-TUAOUCFPSA-N
MW233.31 g/mol
LogP0.51
Rot. Bonds3

About (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide

(2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide (PubChem CID 110138640) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide
PubChem CID110138640
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide
SMILESCN(C)[C@@H]1C[C@@H](C(N)=O)N[C@H]1c1ccccc1
InChIInChI=1S/C13H19N3O/c1-16(2)11-8-10(13(14)17)15-12(11)9-6-4-3-5-7-9/h3-7,10-12,15H,8H2,1-2H3,(H2,14,17)/t10-,11+,12-/m0/s1
InChIKeySVROTRBWMBZJLJ-TUAOUCFPSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide (CID 110138640) is (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide is CN(C)[C@@H]1C[C@@H](C(N)=O)N[C@H]1c1ccccc1.
What is the InChIKey of (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide?
The InChIKey is SVROTRBWMBZJLJ-TUAOUCFPSA-N. The full InChI is InChI=1S/C13H19N3O/c1-16(2)11-8-10(13(14)17)15-12(11)9-6-4-3-5-7-9/h3-7,10-12,15H,8H2,1-2H3,(H2,14,17)/t10-,11+,12-/m0/s1.
What are the key properties of (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide?
(2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-4-(dimethylamino)-5-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 110138640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).