methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate

C15H18N2O5 — CID 2872639

IUPACmethyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
SMILESCCOc1ccc(N2C(=O)CC(NCC(=O)OC)C2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-3-22-11-6-4-10(5-7-11)17-13(18)8-12(15(17)20)16-9-14(19)21-2/h4-7,12,16H,3,8-9H2,1-2H3
InChIKeyGUKWKFGUBWNPRM-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.48
Rot. Bonds6

About methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate

methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate (PubChem CID 2872639) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
PubChem CID2872639
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Namemethyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
SMILESCCOc1ccc(N2C(=O)CC(NCC(=O)OC)C2=O)cc1
InChIInChI=1S/C15H18N2O5/c1-3-22-11-6-4-10(5-7-11)17-13(18)8-12(15(17)20)16-9-14(19)21-2/h4-7,12,16H,3,8-9H2,1-2H3
InChIKeyGUKWKFGUBWNPRM-UHFFFAOYSA-N
XLogP0.48
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710173
methyl 2-[[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate
CID 710148
methyl 4-[(3R)-3-[(2-methoxy-2-oxoethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 699190
[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-(2-methoxy-2-oxoethyl)azanium
CID 4090695
3-(4-ethoxyanilino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 3367041
3-(1-adamantylmethylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 596451
3-(butan-2-ylamino)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 71669987
(3R)-1-(4-ethoxyphenyl)-3-[[(2R)-oxolan-2-yl]methylamino]pyrrolidine-2,5-dione
CID 843067
N'-[(3S)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-4-hydroxybutanehydrazide
CID 7025893
(3R)-1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 843089
3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 2877150
2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile
CID 7013367

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate (CID 2872639) is methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate is CCOc1ccc(N2C(=O)CC(NCC(=O)OC)C2=O)cc1.
What is the InChIKey of methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
The InChIKey is GUKWKFGUBWNPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-3-22-11-6-4-10(5-7-11)17-13(18)8-12(15(17)20)16-9-14(19)21-2/h4-7,12,16H,3,8-9H2,1-2H3.
What are the key properties of methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate?
methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate has a molecular weight of 306.32 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetate is sourced from PubChem (CID 2872639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).