3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

C17H22N2O5 — CID 119233252

IUPAC3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCCOc1ccccc1N1CC(C(=O)N(C)CCC(=O)O)CC1=O
InChIInChI=1S/C17H22N2O5/c1-3-24-14-7-5-4-6-13(14)19-11-12(10-15(19)20)17(23)18(2)9-8-16(21)22/h4-7,12H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyHIIQTGAQWBCJOA-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.37
Rot. Bonds7

About 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid

3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (PubChem CID 119233252) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
PubChem CID119233252
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC Name3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
SMILESCCOc1ccccc1N1CC(C(=O)N(C)CCC(=O)O)CC1=O
InChIInChI=1S/C17H22N2O5/c1-3-24-14-7-5-4-6-13(14)19-11-12(10-15(19)20)17(23)18(2)9-8-16(21)22/h4-7,12H,3,8-11H2,1-2H3,(H,21,22)
InChIKeyHIIQTGAQWBCJOA-UHFFFAOYSA-N
XLogP1.37
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[1-(2-butan-2-ylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119232628
1-(2-ethoxyphenyl)-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 18886165
3-[methyl-(1-naphthalen-1-yl-5-oxopyrrolidine-3-carbonyl)amino]propanoic acid
CID 119233129
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 51266491
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-(2-ethoxyphenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 9392514
1-(2-ethoxyphenyl)-4-methylpyrrolidin-2-one
CID 129259594
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55337484
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367728
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
(3R)-1-(2-ethoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 26087224
2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The IUPAC name of 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid (CID 119233252) is 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is CCOc1ccccc1N1CC(C(=O)N(C)CCC(=O)O)CC1=O.
What is the InChIKey of 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
The InChIKey is HIIQTGAQWBCJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-3-24-14-7-5-4-6-13(14)19-11-12(10-15(19)20)17(23)18(2)9-8-16(21)22/h4-7,12H,3,8-11H2,1-2H3,(H,21,22).
What are the key properties of 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid?
3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid has a molecular weight of 334.37 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119233252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).