(2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide

C13H18N2O2 — CID 155294232

IUPAC(2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C13H18N2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(16)7-14-11/h3-5,10-11,14,16H,6-7H2,1-2H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyKGZHLVTUPROHEW-MNOVXSKESA-N
MW234.30 g/mol
LogP0.96
Rot. Bonds2

About (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 155294232) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID155294232
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)[C@@H]1C[C@@H](O)CN1
InChIInChI=1S/C13H18N2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(16)7-14-11/h3-5,10-11,14,16H,6-7H2,1-2H3,(H,15,17)/t10-,11+/m1/s1
InChIKeyKGZHLVTUPROHEW-MNOVXSKESA-N
XLogP0.96
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide (CID 155294232) is (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide is Cc1cccc(C)c1NC(=O)[C@@H]1C[C@@H](O)CN1.
What is the InChIKey of (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is KGZHLVTUPROHEW-MNOVXSKESA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-4-3-5-9(2)12(8)15-13(17)11-6-10(16)7-14-11/h3-5,10-11,14,16H,6-7H2,1-2H3,(H,15,17)/t10-,11+/m1/s1.
What are the key properties of (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-N-(2,6-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 155294232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).