4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid

C13H21NO7 — CID 142491942

IUPAC4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid
SMILESCOCCN(CCOC(=O)CCC(=O)O)C(=O)CCC=O
InChIInChI=1S/C13H21NO7/c1-20-9-6-14(11(16)3-2-8-15)7-10-21-13(19)5-4-12(17)18/h8H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyWUQSLGJZALXZPB-UHFFFAOYSA-N
MW303.31 g/mol
LogP-0.15
Rot. Bonds12

About 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid

4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid (PubChem CID 142491942) has the molecular formula C13H21NO7 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid
PubChem CID142491942
Molecular FormulaC13H21NO7
Molecular Weight303.31 g/mol
Exact Mass303.13
IUPAC Name4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid
SMILESCOCCN(CCOC(=O)CCC(=O)O)C(=O)CCC=O
InChIInChI=1S/C13H21NO7/c1-20-9-6-14(11(16)3-2-8-15)7-10-21-13(19)5-4-12(17)18/h8H,2-7,9-10H2,1H3,(H,17,18)
InChIKeyWUQSLGJZALXZPB-UHFFFAOYSA-N
XLogP-0.15
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340
2-[[4-(diethylamino)-4-oxobutanoyl]-(2-methoxyethyl)amino]ethyl 4-oxopentanoate
CID 118689097
4-[2-[bis[2-(3-carboxypropanoyloxy)ethyl]amino]ethoxy]-4-oxobutanoic acid
CID 59383186
4-[3-(dimethylamino)propyl-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 54876287
2-[ethyl(methyl)amino]ethyl 4-oxobutanoate
CID 138517568
4-oxo-4-[2-[2-[tetradecanoyl(tetradecyl)amino]ethoxy]ethoxy]butanoic acid
CID 170390222
N-(2-hydroxyethyl)-N-(2-methoxyethyl)pent-4-enamide
CID 115772576
14-(2-methoxyethoxy)-14-oxotetradecanoic acid
CID 174560231
N,N-dioctadecyl-4-oxobutanamide
CID 56607761
2-[2-(2-methoxyethoxy)ethoxy]ethyl 4-[di(tetradecyl)amino]-4-oxobutanoate
CID 176758962
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-(didecylamino)-4-oxobutanoate
CID 176758965

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid (CID 142491942) is 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid is COCCN(CCOC(=O)CCC(=O)O)C(=O)CCC=O.
What is the InChIKey of 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid?
The InChIKey is WUQSLGJZALXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO7/c1-20-9-6-14(11(16)3-2-8-15)7-10-21-13(19)5-4-12(17)18/h8H,2-7,9-10H2,1H3,(H,17,18).
What are the key properties of 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid?
4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid has a molecular weight of 303.31 g/mol, XLogP of -0.15, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid is sourced from PubChem (CID 142491942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).