2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid

C18H24N2O5 — CID 119193196

IUPAC2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(N2CC(C(=O)N(CC(=O)O)CC(C)C)CC2=O)cc1
InChIInChI=1S/C18H24N2O5/c1-12(2)9-19(11-17(22)23)18(24)13-8-16(21)20(10-13)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)
InChIKeyOTENTPZVTOVOLW-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.62
Rot. Bonds7

About 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid

2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 119193196) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
PubChem CID119193196
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid
SMILESCOc1ccc(N2CC(C(=O)N(CC(=O)O)CC(C)C)CC2=O)cc1
InChIInChI=1S/C18H24N2O5/c1-12(2)9-19(11-17(22)23)18(24)13-8-16(21)20(10-13)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,22,23)
InChIKeyOTENTPZVTOVOLW-UHFFFAOYSA-N
XLogP1.62
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
(3S)-N-[(2S)-2-hydroxypropyl]-1-(4-methoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 95972030
(3S)-1-(4-chlorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9391631
(3S)-1-(4-ethylphenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 9390002
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
1-(4-methoxyphenyl)-N-(6-methylheptan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17309378
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 110629660
(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704642
(4-methoxyphenyl) (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057140
(3S)-N-[(2R)-butan-2-yl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 673163
[(1S)-1-cyclopropylethyl] (3S)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 95173629
N,N-bis(2-methylpropyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118781

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid (CID 119193196) is 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is COc1ccc(N2CC(C(=O)N(CC(=O)O)CC(C)C)CC2=O)cc1.
What is the InChIKey of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is OTENTPZVTOVOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-12(2)9-19(11-17(22)23)18(24)13-8-16(21)20(10-13)14-4-6-15(25-3)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid?
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 348.40 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119193196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).