5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid

C14H19NO5 — CID 63363165

IUPAC5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
SMILESCOc1ccc(CNC(=O)CCCC(=O)O)c(OC)c1
InChIInChI=1S/C14H19NO5/c1-19-11-7-6-10(12(8-11)20-2)9-15-13(16)4-3-5-14(17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBXNFSUBXJUCNBM-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.57
Rot. Bonds8

About 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid

5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid (PubChem CID 63363165) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
PubChem CID63363165
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
SMILESCOc1ccc(CNC(=O)CCCC(=O)O)c(OC)c1
InChIInChI=1S/C14H19NO5/c1-19-11-7-6-10(12(8-11)20-2)9-15-13(16)4-3-5-14(17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyBXNFSUBXJUCNBM-UHFFFAOYSA-N
XLogP1.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-5-oxohexanamide
CID 71443665
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
4-[[2-[3-(dimethylamino)propoxy]-4-methoxyphenyl]methylamino]-4-oxobutanoic acid
CID 22681936
N-[(2,4-dimethoxyphenyl)methyl]-2-(methylamino)acetamide
CID 55190564
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
5-[(5-fluoro-2-methoxyphenyl)methylamino]-5-oxopentanoic acid
CID 94696058
4-[(2-hydroxy-4-methoxyphenyl)methylamino]-4-oxobutanoic acid
CID 20993607
(2,4-dimethoxyphenyl)methylurea
CID 53362457
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
N-[(2,5-dimethoxyphenyl)methyl]-4-(methylamino)butanamide
CID 61252269
N-[(2,4-dimethoxyphenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303370

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid (CID 63363165) is 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid is COc1ccc(CNC(=O)CCCC(=O)O)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
The InChIKey is BXNFSUBXJUCNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-19-11-7-6-10(12(8-11)20-2)9-15-13(16)4-3-5-14(17)18/h6-8H,3-5,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid?
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid is sourced from PubChem (CID 63363165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).