5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid

C10H19NO5 — CID 62965063

IUPAC5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
SMILESCOC(CNC(=O)CC(C)CC(=O)O)OC
InChIInChI=1S/C10H19NO5/c1-7(5-9(13)14)4-8(12)11-6-10(15-2)16-3/h7,10H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyRDRBHALLROGQLO-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.22
Rot. Bonds8

About 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid

5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 62965063) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
PubChem CID62965063
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
SMILESCOC(CNC(=O)CC(C)CC(=O)O)OC
InChIInChI=1S/C10H19NO5/c1-7(5-9(13)14)4-8(12)11-6-10(15-2)16-3/h7,10H,4-6H2,1-3H3,(H,11,12)(H,13,14)
InChIKeyRDRBHALLROGQLO-UHFFFAOYSA-N
XLogP0.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 79548215
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
5-(cyanomethylamino)-3-methyl-5-oxopentanoic acid
CID 62965259
5-[(4-methoxycarbonylphenyl)methylamino]-3-methyl-5-oxopentanoic acid
CID 62964014
2,2-dimethoxyethylcarbamic acid
CID 18938836
3-amino-4-(2,2-dimethoxyethylamino)-4-oxobutanoic acid
CID 64896338
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
5-[(2-amino-2-oxoethyl)amino]-3-methyl-5-oxopentanoic acid
CID 62966422
5-(3-hydroxypropylamino)-3-methyl-5-oxopentanoic acid
CID 62966087
2-methoxy-3-(3-methylpentanoylamino)propanoic acid
CID 106107442
4-(3-aminobutanoylamino)-3-methoxybutanoic acid
CID 103156918

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid (CID 62965063) is 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid is COC(CNC(=O)CC(C)CC(=O)O)OC.
What is the InChIKey of 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is RDRBHALLROGQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-7(5-9(13)14)4-8(12)11-6-10(15-2)16-3/h7,10H,4-6H2,1-3H3,(H,11,12)(H,13,14).
What are the key properties of 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid?
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62965063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).