(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide

C13H18N2O2 — CID 61179515

IUPAC(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2)c(C)c1O
InChIInChI=1S/C13H18N2O2/c1-8-5-6-10(9(2)12(8)16)15-13(17)11-4-3-7-14-11/h5-6,11,14,16H,3-4,7H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyXIFZQGAHHWUGES-NSHDSACASA-N
MW234.30 g/mol
LogP1.70
Rot. Bonds2

About (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide

(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide (PubChem CID 61179515) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
PubChem CID61179515
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
SMILESCc1ccc(NC(=O)[C@@H]2CCCN2)c(C)c1O
InChIInChI=1S/C13H18N2O2/c1-8-5-6-10(9(2)12(8)16)15-13(17)11-4-3-7-14-11/h5-6,11,14,16H,3-4,7H2,1-2H3,(H,15,17)/t11-/m0/s1
InChIKeyXIFZQGAHHWUGES-NSHDSACASA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 43710389
N-(4-hydroxy-2,3,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 89036511
N-(2-hydroxy-3-methylphenyl)pyrrolidine-2-carboxamide
CID 79602150
(2R)-N-(3-methoxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide
CID 113263992
(2S)-N-(2,3-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261902
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
N-(3-hydroxy-2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79388995
(2S)-N-(3-bromo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 103794811
N-(3-fluoro-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281809
(3-hydroxy-2,4-dimethylphenyl)-[(2S)-pyrrolidin-2-yl]methanone
CID 175936464
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide (CID 61179515) is (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide is Cc1ccc(NC(=O)[C@@H]2CCCN2)c(C)c1O.
What is the InChIKey of (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XIFZQGAHHWUGES-NSHDSACASA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8-5-6-10(9(2)12(8)16)15-13(17)11-4-3-7-14-11/h5-6,11,14,16H,3-4,7H2,1-2H3,(H,15,17)/t11-/m0/s1.
What are the key properties of (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide?
(2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxy-2,4-dimethylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 61179515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).