4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide

C12H16N2O4 — CID 102695323

IUPAC4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(O)CN2)c(O)c1
InChIInChI=1S/C12H16N2O4/c1-18-8-2-3-9(11(16)5-8)14-12(17)10-4-7(15)6-13-10/h2-3,5,7,10,13,15-16H,4,6H2,1H3,(H,14,17)
InChIKeyGWEOATXJKZKTES-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.06
Rot. Bonds3

About 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide

4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 102695323) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID102695323
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(O)CN2)c(O)c1
InChIInChI=1S/C12H16N2O4/c1-18-8-2-3-9(11(16)5-8)14-12(17)10-4-7(15)6-13-10/h2-3,5,7,10,13,15-16H,4,6H2,1H3,(H,14,17)
InChIKeyGWEOATXJKZKTES-UHFFFAOYSA-N
XLogP0.06
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119709484
(2S)-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide
CID 102695287
4-hydroxy-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119670498
N-(2-hydroxy-4-methoxyphenyl)cyclopentanecarboxamide
CID 146453828
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(4,5-dimethoxy-2-methylphenyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119679098
N-(5-acetamido-2-methoxyphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43707822
N-(2,5-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120806
methyl 4-fluoro-3-[(4-hydroxypyrrolidine-2-carbonyl)amino]benzoate
CID 43703157
N-[5-[(dimethylamino)methyl]-2-methoxyphenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 43703764
N-(2-chloro-4-fluorophenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43150554
N-[4-(3,5-dimethylphenoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide
CID 119741335

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide (CID 102695323) is 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide is COc1ccc(NC(=O)C2CC(O)CN2)c(O)c1.
What is the InChIKey of 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is GWEOATXJKZKTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-8-2-3-9(11(16)5-8)14-12(17)10-4-7(15)6-13-10/h2-3,5,7,10,13,15-16H,4,6H2,1H3,(H,14,17).
What are the key properties of 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide?
4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-hydroxy-4-methoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 102695323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).