4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid

C19H24N2O6 — CID 120542267

IUPAC4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESCOc1ccccc1N1CC(C(=O)NCC2(C(=O)O)CCOCC2)CC1=O
InChIInChI=1S/C19H24N2O6/c1-26-15-5-3-2-4-14(15)21-11-13(10-16(21)22)17(23)20-12-19(18(24)25)6-8-27-9-7-19/h2-5,13H,6-12H2,1H3,(H,20,23)(H,24,25)
InChIKeyPBIWNENVHSVWDN-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.05
Rot. Bonds6

About 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid

4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid (PubChem CID 120542267) has the molecular formula C19H24N2O6 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
PubChem CID120542267
Molecular FormulaC19H24N2O6
Molecular Weight376.41 g/mol
Exact Mass376.16
IUPAC Name4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
SMILESCOc1ccccc1N1CC(C(=O)NCC2(C(=O)O)CCOCC2)CC1=O
InChIInChI=1S/C19H24N2O6/c1-26-15-5-3-2-4-14(15)21-11-13(10-16(21)22)17(23)20-12-19(18(24)25)6-8-27-9-7-19/h2-5,13H,6-12H2,1H3,(H,20,23)(H,24,25)
InChIKeyPBIWNENVHSVWDN-UHFFFAOYSA-N
XLogP1.05
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid with MolForge

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Related Compounds

(3S)-N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 125135627
4-[[[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541802
4-[[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541807
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42904637
4-[[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120541559
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxyphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 24624597
1-(5-chloro-2-methoxyphenyl)-5-oxo-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 55492788
N-[2-(4-methoxyphenoxy)ethyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 24624710
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7986706
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid (CID 120542267) is 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid is COc1ccccc1N1CC(C(=O)NCC2(C(=O)O)CCOCC2)CC1=O.
What is the InChIKey of 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
The InChIKey is PBIWNENVHSVWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6/c1-26-15-5-3-2-4-14(15)21-11-13(10-16(21)22)17(23)20-12-19(18(24)25)6-8-27-9-7-19/h2-5,13H,6-12H2,1H3,(H,20,23)(H,24,25).
What are the key properties of 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid?
4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid has a molecular weight of 376.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 120542267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).