6-(methylamino)-2,6-dioxohexanoic acid

C7H11NO4 — CID 123522335

IUPAC6-(methylamino)-2,6-dioxohexanoic acid
SMILESCNC(=O)CCCC(=O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-8-6(10)4-2-3-5(9)7(11)12/h2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyASJVISUWUQETSC-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.44
Rot. Bonds5

About 6-(methylamino)-2,6-dioxohexanoic acid

6-(methylamino)-2,6-dioxohexanoic acid (PubChem CID 123522335) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 6-(methylamino)-2,6-dioxohexanoic acid.

Molecular Properties

Compound Name6-(methylamino)-2,6-dioxohexanoic acid
PubChem CID123522335
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name6-(methylamino)-2,6-dioxohexanoic acid
SMILESCNC(=O)CCCC(=O)C(=O)O
InChIInChI=1S/C7H11NO4/c1-8-6(10)4-2-3-5(9)7(11)12/h2-4H2,1H3,(H,8,10)(H,11,12)
InChIKeyASJVISUWUQETSC-UHFFFAOYSA-N
XLogP-0.44
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-(methylamino)-6-oxohexanoic acid;pentanedioic acid
CID 175448112
N,N'-dimethylheptanediamide
CID 15166696
N-methylheptacosanamide
CID 18175889
5-bromo-N-methylpentanamide
CID 19971018
N-methyl-4-(sulfanylamino)butanamide
CID 59695052
N-methylnonadecanamide
CID 2724821
N-methylundecanamide
CID 23297450
N-methyl-5-methyliminohexanamide
CID 146580265
5-(hydroxymethyl)-N-methylhex-5-enamide
CID 89257346
copper;2-oxohexanoic acid
CID 88811226
2-[[12-(methylamino)-12-oxododecanoyl]amino]acetic acid
CID 163272447
5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoic acid
CID 43529039

Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-2,6-dioxohexanoic acid?
The IUPAC name of 6-(methylamino)-2,6-dioxohexanoic acid (CID 123522335) is 6-(methylamino)-2,6-dioxohexanoic acid.
What is the SMILES notation for 6-(methylamino)-2,6-dioxohexanoic acid?
The canonical SMILES for 6-(methylamino)-2,6-dioxohexanoic acid is CNC(=O)CCCC(=O)C(=O)O.
What is the InChIKey of 6-(methylamino)-2,6-dioxohexanoic acid?
The InChIKey is ASJVISUWUQETSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-8-6(10)4-2-3-5(9)7(11)12/h2-4H2,1H3,(H,8,10)(H,11,12).
What are the key properties of 6-(methylamino)-2,6-dioxohexanoic acid?
6-(methylamino)-2,6-dioxohexanoic acid has a molecular weight of 173.17 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-2,6-dioxohexanoic acid is sourced from PubChem (CID 123522335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).