5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid

C14H19NO4 — CID 62966442

IUPAC5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
SMILESCOc1cc(C)ccc1NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-9-4-5-11(12(6-9)19-3)15-13(16)7-10(2)8-14(17)18/h4-6,10H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXUMDSVPNYXZPEH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.44
Rot. Bonds6

About 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid

5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid (PubChem CID 62966442) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
PubChem CID62966442
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid
SMILESCOc1cc(C)ccc1NC(=O)CC(C)CC(=O)O
InChIInChI=1S/C14H19NO4/c1-9-4-5-11(12(6-9)19-3)15-13(16)7-10(2)8-14(17)18/h4-6,10H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyXUMDSVPNYXZPEH-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methoxy-4-methylphenyl)butanamide
CID 60928646
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
2-[2-(2-methoxy-4-methylanilino)-2-oxoethoxy]acetic acid
CID 61328811
5-(5-bromo-2-methoxyanilino)-3-methyl-5-oxopentanoic acid
CID 62964590
2-[2-(2-methoxy-4-methylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569170
2-benzyl-4-(2-methoxy-4-methylanilino)-4-oxobutanoic acid
CID 166273937
N-(2-methoxy-4-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119740565
N-(2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958038
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092
2-chloro-N-(2-methoxy-4-methylphenyl)propanamide
CID 60934492
N-(2-methoxy-4-methylphenyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604669
2-(1-hydroxycyclopentyl)-N-(2-methoxy-4-methylphenyl)acetamide
CID 111537056

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid (CID 62966442) is 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid is COc1cc(C)ccc1NC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid?
The InChIKey is XUMDSVPNYXZPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-5-11(12(6-9)19-3)15-13(16)7-10(2)8-14(17)18/h4-6,10H,7-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid?
5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-4-methylanilino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62966442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).