3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid

C18H24N2O6 — CID 119191735

IUPAC3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H24N2O6/c1-4-19(8-7-17(22)23)18(24)12-9-16(21)20(11-12)13-5-6-14(25-2)15(10-13)26-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,22,23)
InChIKeyBUINQFFMYZNWPX-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.38
Rot. Bonds8

About 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid

3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid (PubChem CID 119191735) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
PubChem CID119191735
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C18H24N2O6/c1-4-19(8-7-17(22)23)18(24)12-9-16(21)20(11-12)13-5-6-14(25-2)15(10-13)26-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,22,23)
InChIKeyBUINQFFMYZNWPX-UHFFFAOYSA-N
XLogP1.38
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid with MolForge

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Related Compounds

(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
N-cyclopropyl-1-(3,4-dimethoxyphenyl)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 55594967
3-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119362275
3-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-1,1-diethylurea
CID 7552346
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46569608
N-benzyl-1-(3,4-dimethoxyphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 55600017
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
(3S)-N,N-diethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350542
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propylamino]acetic acid
CID 119205358
2-[[1-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]acetic acid
CID 119206435
N-(3-acetamidopropyl)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 110630800

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid?
The IUPAC name of 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid (CID 119191735) is 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid?
The canonical SMILES for 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid is CCN(CCC(=O)O)C(=O)C1CC(=O)N(c2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid?
The InChIKey is BUINQFFMYZNWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-4-19(8-7-17(22)23)18(24)12-9-16(21)20(11-12)13-5-6-14(25-2)15(10-13)26-3/h5-6,10,12H,4,7-9,11H2,1-3H3,(H,22,23).
What are the key properties of 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid?
3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid has a molecular weight of 364.40 g/mol, XLogP of 1.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-ethylamino]propanoic acid is sourced from PubChem (CID 119191735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).