4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid

C15H30N2O6 — CID 23377101

IUPAC4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
SMILESCN(C)CCOCCOCCOCCN(C)C(=O)CCC(=O)O
InChIInChI=1S/C15H30N2O6/c1-16(2)6-8-21-10-12-23-13-11-22-9-7-17(3)14(18)4-5-15(19)20/h4-13H2,1-3H3,(H,19,20)
InChIKeyLTOGLIUKSCMICK-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.08
Rot. Bonds15

About 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid

4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid (PubChem CID 23377101) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
PubChem CID23377101
Molecular FormulaC15H30N2O6
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Name4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid
SMILESCN(C)CCOCCOCCOCCN(C)C(=O)CCC(=O)O
InChIInChI=1S/C15H30N2O6/c1-16(2)6-8-21-10-12-23-13-11-22-9-7-17(3)14(18)4-5-15(19)20/h4-13H2,1-3H3,(H,19,20)
InChIKeyLTOGLIUKSCMICK-UHFFFAOYSA-N
XLogP-0.08
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(Morpholin-4-yl)-4-oxobutanoic acid
CID 225378
Diethyl 4,4'-(1,7-dioxa-4,10-diazacyclododecane-4,10-diyl)bis(4-oxobutanoate)
CID 660883
4-[16-(3-Methoxycarbonyl-propionyl)-1,4,10,13-tetraoxa-7,16-diaza-cyclooctadec-7-yl]-4-oxo-butyric acid methyl ester
CID 3095270
Methyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)butanoate
CID 889401
4-[13-(3-Ethoxycarbonyl-propionyl)-1,4,10-trioxa-7,13-diaza-cyclopentadec-7-yl]-4-oxo-butyric acid ethyl ester
CID 3839388
Diethyl 4,4'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(4-oxobutanoate)
CID 3095271
Ethyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododec-10-yl)butanoate
CID 9550559
alpha,omega-Bis{2-[(3-carboxy-1-oxopropyl)amino]ethyl}polyethylene glycol
CID 90165985
4-(2,6-Dimethylmorpholin-4-yl)-4-oxobutanoic acid
CID 6466368
4-Oxo-4-[2-[2-(2-aminoethoxy)ethoxy]ethylamino]butanoic acid
CID 6605253
Dimac
CID 57611656
Poly(oxy-1,2-ethanediyl), alpha-[2-[(3-carboxy-1-oxopropyl)amino]ethyl]-omega-methoxy-
CID 59127027

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid (CID 23377101) is 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid is CN(C)CCOCCOCCOCCN(C)C(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
The InChIKey is LTOGLIUKSCMICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6/c1-16(2)6-8-21-10-12-23-13-11-22-9-7-17(3)14(18)4-5-15(19)20/h4-13H2,1-3H3,(H,19,20).
What are the key properties of 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid?
4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid has a molecular weight of 334.41 g/mol, XLogP of -0.08, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethyl-methylamino]-4-oxobutanoic acid is sourced from PubChem (CID 23377101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).