2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid

C15H19NO5 — CID 82780822

IUPAC2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-4-5-11(10(2)8-9)14(18)16-12(15(19)20)6-7-13(17)21-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyXGBIIXABMOXEBM-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.44
Rot. Bonds6

About 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid

2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82780822) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82780822
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C15H19NO5/c1-9-4-5-11(10(2)8-9)14(18)16-12(15(19)20)6-7-13(17)21-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyXGBIIXABMOXEBM-UHFFFAOYSA-N
XLogP1.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
(2R)-2-[(2,4-dimethylbenzoyl)amino]-4-methylsulfanylbutanoic acid
CID 30045030
(2R)-2-[(2,4-dihydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820519
2-[(2,4-dichlorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780716
2-[(2,4-difluorobenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780270
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107981575
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927
(2S)-2-[(2-fluoro-4-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820252
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820929

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82780822) is 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is XGBIIXABMOXEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-9-4-5-11(10(2)8-9)14(18)16-12(15(19)20)6-7-13(17)21-3/h4-5,8,12H,6-7H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82780822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).