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

C12H23NO5 — CID 79548215

IUPAC5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
SMILESCCOC(CNC(=O)CC(C)CC(=O)O)OCC
InChIInChI=1S/C12H23NO5/c1-4-17-12(18-5-2)8-13-10(14)6-9(3)7-11(15)16/h9,12H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZDDMZEFHFPZXPW-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.00
Rot. Bonds10

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

5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid (PubChem CID 79548215) has the molecular formula C12H23NO5 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
PubChem CID79548215
Molecular FormulaC12H23NO5
Molecular Weight261.32 g/mol
Exact Mass261.16
IUPAC Name5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid
SMILESCCOC(CNC(=O)CC(C)CC(=O)O)OCC
InChIInChI=1S/C12H23NO5/c1-4-17-12(18-5-2)8-13-10(14)6-9(3)7-11(15)16/h9,12H,4-8H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyZDDMZEFHFPZXPW-UHFFFAOYSA-N
XLogP1.00
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.00
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

4-amino-N-(2,2-diethoxyethyl)-3-methylbutanamide
CID 81079644
5-(2,2-dimethoxyethylamino)-3-methyl-5-oxopentanoic acid
CID 62965063
3-methyl-5-(2-methylbutylamino)-5-oxopentanoic acid
CID 62963901
5-[2-(dimethylamino)propylamino]-3-methyl-5-oxopentanoic acid
CID 62966305
N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-5-oxopentanoic acid
CID 62963822
5-(cyanomethylamino)-3-methyl-5-oxopentanoic acid
CID 62965259

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid (CID 79548215) is 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid is CCOC(CNC(=O)CC(C)CC(=O)O)OCC.
What is the InChIKey of 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is ZDDMZEFHFPZXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5/c1-4-17-12(18-5-2)8-13-10(14)6-9(3)7-11(15)16/h9,12H,4-8H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid?
5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 261.32 g/mol, XLogP of 1.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diethoxyethylamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 79548215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).