3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid

C19H26N2O6 — CID 120686530

IUPAC3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid
SMILESCOc1ccc(N2CC(C(=O)N(CCC(=O)O)C(C)C)CC2=O)c(OC)c1
InChIInChI=1S/C19H26N2O6/c1-12(2)20(8-7-18(23)24)19(25)13-9-17(22)21(11-13)15-6-5-14(26-3)10-16(15)27-4/h5-6,10,12-13H,7-9,11H2,1-4H3,(H,23,24)
InChIKeyARPXVUOMVQLVIH-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.77
Rot. Bonds8

About 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid

3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid (PubChem CID 120686530) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid
PubChem CID120686530
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid
SMILESCOc1ccc(N2CC(C(=O)N(CCC(=O)O)C(C)C)CC2=O)c(OC)c1
InChIInChI=1S/C19H26N2O6/c1-12(2)20(8-7-18(23)24)19(25)13-9-17(22)21(11-13)15-6-5-14(26-3)10-16(15)27-4/h5-6,10,12-13H,7-9,11H2,1-4H3,(H,23,24)
InChIKeyARPXVUOMVQLVIH-UHFFFAOYSA-N
XLogP1.77
TPSA96.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid with MolForge

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Related Compounds

(3R)-N-benzyl-1-(2,4-dimethoxyphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 9351346
4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
CID 120689383
(3S)-N,N-bis(cyanomethyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351324
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
(3R)-1-(2,4-dimethoxyphenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9351694
(3S)-1-(2,4-dimethoxyphenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9268410
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137
(3R)-1-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 9351397
2-cyclopropyl-2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 120686705

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid (CID 120686530) is 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid is COc1ccc(N2CC(C(=O)N(CCC(=O)O)C(C)C)CC2=O)c(OC)c1.
What is the InChIKey of 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid?
The InChIKey is ARPXVUOMVQLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-12(2)20(8-7-18(23)24)19(25)13-9-17(22)21(11-13)15-6-5-14(26-3)10-16(15)27-4/h5-6,10,12-13H,7-9,11H2,1-4H3,(H,23,24).
What are the key properties of 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid?
3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid has a molecular weight of 378.43 g/mol, XLogP of 1.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 120686530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).