5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid

C14H19NO4 — CID 115163818

IUPAC5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
SMILESCOc1c(C)cc(NC(=O)CCCC(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-9-7-11(8-10(2)14(9)19-3)15-12(16)5-4-6-13(17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJACZUJBKFJMJFQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.51
Rot. Bonds6

About 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid

5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid (PubChem CID 115163818) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
PubChem CID115163818
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid
SMILESCOc1c(C)cc(NC(=O)CCCC(=O)O)cc1C
InChIInChI=1S/C14H19NO4/c1-9-7-11(8-10(2)14(9)19-3)15-12(16)5-4-6-13(17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJACZUJBKFJMJFQ-UHFFFAOYSA-N
XLogP2.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4-methoxy-3,5-dimethylanilino)-3-oxopropanoate
CID 115174171
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632
5-oxo-5-[[11,17,23-tris(butanoylamino)-25,26,27,28-tetrapropoxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]amino]pentanoic acid
CID 50915612
N-(4-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanamide
CID 22905642
dimethyl 5-[[5-[3,5-bis(methoxycarbonyl)anilino]-5-oxopentanoyl]amino]benzene-1,3-dicarboxylate
CID 4100677
5-(4-amino-3,5-dichloroanilino)-5-oxopentanoic acid
CID 881207
5-[(4-methoxy-3,5-dimethylphenyl)methylamino]pentanoic acid
CID 115219065
4-(3,4-dimethoxy-2,5-dimethylphenyl)butanoic acid
CID 117383909
5-(2-bromo-4,5-dimethylanilino)-5-oxopentanoic acid
CID 82036907
2-(4-methoxy-3,5-dimethylanilino)acetaldehyde
CID 115222701
5-(3,4-diethoxyanilino)-5-oxopentanoic acid
CID 43396454

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid?
The IUPAC name of 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid (CID 115163818) is 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid is COc1c(C)cc(NC(=O)CCCC(=O)O)cc1C.
What is the InChIKey of 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid?
The InChIKey is JACZUJBKFJMJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-7-11(8-10(2)14(9)19-3)15-12(16)5-4-6-13(17)18/h7-8H,4-6H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid?
5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3,5-dimethylanilino)-5-oxopentanoic acid is sourced from PubChem (CID 115163818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).