4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

C18H24N2O6 — CID 120689383

IUPAC4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCOc1ccc(N2CC(C(=O)NC(C)CCC(=O)O)CC2=O)c(OC)c1
InChIInChI=1S/C18H24N2O6/c1-11(4-7-17(22)23)19-18(24)12-8-16(21)20(10-12)14-6-5-13(25-2)9-15(14)26-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyFMJVALUMHRBSDH-UHFFFAOYSA-N
MW364.40 g/mol
LogP1.43
Rot. Bonds8

About 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid

4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 120689383) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID120689383
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCOc1ccc(N2CC(C(=O)NC(C)CCC(=O)O)CC2=O)c(OC)c1
InChIInChI=1S/C18H24N2O6/c1-11(4-7-17(22)23)19-18(24)12-8-16(21)20(10-12)14-6-5-13(25-2)9-15(14)26-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,24)(H,22,23)
InChIKeyFMJVALUMHRBSDH-UHFFFAOYSA-N
XLogP1.43
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(3S)-N-benzhydryl-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965651
3-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 120686530
2-cyclopropyl-2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 120686705
1-(2,4-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120651750
(3R)-1-(2,4-dimethoxyphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 40720280
1-(2,4-dimethoxyphenyl)-N-[2-(methylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119500040
1-(2,4-dimethoxyphenyl)-5-oxo-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]pyrrolidine-3-carboxamide
CID 4900418
1-[2-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperidine-4-carboxylic acid
CID 4908740
(3R)-N-(4-acetamidophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351652
(3R)-1-(2,4-dimethoxyphenyl)-N-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 29137137

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid (CID 120689383) is 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is COc1ccc(N2CC(C(=O)NC(C)CCC(=O)O)CC2=O)c(OC)c1.
What is the InChIKey of 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is FMJVALUMHRBSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-11(4-7-17(22)23)19-18(24)12-8-16(21)20(10-12)14-6-5-13(25-2)9-15(14)26-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,24)(H,22,23).
What are the key properties of 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid?
4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 364.40 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120689383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).