(2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide

C14H20N2O2 — CID 97384189

IUPAC(2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(2)14(18)16-9-8-13(17)12(16)10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyOPZMQWZIPFCSFA-QWHCGFSZSA-N
MW248.33 g/mol
LogP1.35
Rot. Bonds2

About (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide

(2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide (PubChem CID 97384189) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide
PubChem CID97384189
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide
SMILESCN(C)C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15(2)14(18)16-9-8-13(17)12(16)10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyOPZMQWZIPFCSFA-QWHCGFSZSA-N
XLogP1.35
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide (CID 97384189) is (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide is CN(C)C(=O)N1CC[C@@H](O)[C@@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide?
The InChIKey is OPZMQWZIPFCSFA-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15(2)14(18)16-9-8-13(17)12(16)10-11-6-4-3-5-7-11/h3-7,12-13,17H,8-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide?
(2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-3-hydroxy-N,N-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 97384189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).