(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

C12H14N2O3 — CID 28739228

IUPAC(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O3/c1-14(8-2-4-9(15)5-3-8)12(17)10-6-7-11(16)13-10/h2-5,10,15H,6-7H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyUNCPVGCLHWXERK-JTQLQIEISA-N
MW234.25 g/mol
LogP0.63
Rot. Bonds2

About (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide

(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 28739228) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID28739228
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCN(C(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1
InChIInChI=1S/C12H14N2O3/c1-14(8-2-4-9(15)5-3-8)12(17)10-6-7-11(16)13-10/h2-5,10,15H,6-7H2,1H3,(H,13,16)/t10-/m0/s1
InChIKeyUNCPVGCLHWXERK-JTQLQIEISA-N
XLogP0.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)-N,4-dimethylpiperidine-2-carboxamide
CID 107734352
N-(4-hydroxyphenyl)-N-methylpiperidine-4-carboxamide
CID 107734326
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107734305
N-(4-hydroxyphenyl)-N-methyl-2,3-dihydro-1H-indene-2-carboxamide
CID 106704324
(4-hydroxyphenyl) 5-oxopyrrolidine-2-carboxylate
CID 18372043
(2R)-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 28740149
N-(4-hydroxyphenyl)-N,2-dimethylpiperidine-4-carboxamide
CID 107734439
3-(4-methyl-N-(5-oxopyrrolidine-2-carbonyl)anilino)propanoic acid
CID 60844380
N'-methyl-5-oxo-N'-phenylpyrrolidine-2-carbohydrazide
CID 156598018
(2R)-N-(3-aminopropyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 103807278
N-(4-hydroxyphenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65155437
N-(4-hydroxyphenyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 107734433

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide (CID 28739228) is (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is CN(C(=O)[C@@H]1CCC(=O)N1)c1ccc(O)cc1.
What is the InChIKey of (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is UNCPVGCLHWXERK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c1-14(8-2-4-9(15)5-3-8)12(17)10-6-7-11(16)13-10/h2-5,10,15H,6-7H2,1H3,(H,13,16)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide?
(2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 234.25 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-hydroxyphenyl)-N-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 28739228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).