4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid

C10H19NO5 — CID 43399812

IUPAC4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid
SMILESCOCCN(CCOC)C(=O)CCC(=O)O
InChIInChI=1S/C10H19NO5/c1-15-7-5-11(6-8-16-2)9(12)3-4-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyRAMZAGSMMKGIPU-UHFFFAOYSA-N
MW233.26 g/mol
LogP-0.03
Rot. Bonds9

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

4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid (PubChem CID 43399812) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid
PubChem CID43399812
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid
SMILESCOCCN(CCOC)C(=O)CCC(=O)O
InChIInChI=1S/C10H19NO5/c1-15-7-5-11(6-8-16-2)9(12)3-4-10(13)14/h3-8H2,1-2H3,(H,13,14)
InChIKeyRAMZAGSMMKGIPU-UHFFFAOYSA-N
XLogP-0.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
1-(2-Methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 3146690
Methyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododecan-10-yl)butanoate
CID 889401
3-(Dipropylcarbamoyl)propanoic acid
CID 16772313
Ethyl 4-oxo-4-(1,4,7-trioxa-10-azacyclododec-10-yl)butanoate
CID 9550559
4-(Dibutylamino)-4-oxobutanoic acid
CID 3380456
4-(2,6-Dimethylmorpholin-4-yl)-4-oxobutanoic acid
CID 6466368
Dimac
CID 57611656
O-[2-(3-Succinylamino)ethyl]-O'-methyl-polyethylene glycol
CID 59127027
4-[Bis(2-hydroxyethyl)amino]-4-oxobutanoic acid
CID 13643396
4-[Bis[2-(1-fluorobutoxy)-2-oxoethyl]amino]-4-oxobutanoic acid
CID 87222043

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid (CID 43399812) is 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid is COCCN(CCOC)C(=O)CCC(=O)O.
What is the InChIKey of 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid?
The InChIKey is RAMZAGSMMKGIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-15-7-5-11(6-8-16-2)9(12)3-4-10(13)14/h3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid?
4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid has a molecular weight of 233.26 g/mol, XLogP of -0.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-methoxyethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 43399812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).