(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide

C13H18N2O2 — CID 111430925

IUPAC(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(7-10(9)2)14-13(17)15-6-5-12(16)8-15/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyIAHNDVHIUBQTRJ-GFCCVEGCSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds1

About (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide

(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111430925) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111430925
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1C
InChIInChI=1S/C13H18N2O2/c1-9-3-4-11(7-10(9)2)14-13(17)15-6-5-12(16)8-15/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,14,17)/t12-/m1/s1
InChIKeyIAHNDVHIUBQTRJ-GFCCVEGCSA-N
XLogP1.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-hydroxy-N-(4-methoxy-3-methylphenyl)pyrrolidine-1-carboxamide
CID 111431474
N-(4-ethoxy-3-methylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 84600938
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
3-hydroxy-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 110891069
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
N-(3-chloro-4-methylphenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoacetamide
CID 111567113
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 146596384
(3S)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)pyrrolidine-1-carboxamide
CID 111431157
(3R)-3-hydroxy-N-(4-propan-2-ylphenyl)pyrrolidine-1-carboxamide
CID 111430995
N-(3,4-dimethylphenyl)-2,6-dimethylmorpholine-4-carboxamide
CID 4570981

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide (CID 111430925) is (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide is Cc1ccc(NC(=O)N2CC[C@@H](O)C2)cc1C.
What is the InChIKey of (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is IAHNDVHIUBQTRJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-3-4-11(7-10(9)2)14-13(17)15-6-5-12(16)8-15/h3-4,7,12,16H,5-6,8H2,1-2H3,(H,14,17)/t12-/m1/s1.
What are the key properties of (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide?
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111430925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).