2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid

C11H20N2O6 — CID 79464132

IUPAC2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCOC(=O)CCCN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H20N2O6/c1-13(6-3-4-10(16)18-2)11(17)12-5-7-19-8-9(14)15/h3-8H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyINUMWBGAZQIEJF-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.32
Rot. Bonds9

About 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid

2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid (PubChem CID 79464132) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
PubChem CID79464132
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid
SMILESCOC(=O)CCCN(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H20N2O6/c1-13(6-3-4-10(16)18-2)11(17)12-5-7-19-8-9(14)15/h3-8H2,1-2H3,(H,12,17)(H,14,15)
InChIKeyINUMWBGAZQIEJF-UHFFFAOYSA-N
XLogP-0.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
methyl 4-[ethylcarbamoyl(methyl)amino]butanoate
CID 60970924
2-[2-[[methyl(2-methylpropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463536
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464032
2-[2-[[(2-hydroxy-3-methoxypropyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79464216
3-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62997589
2-[2-[[2-methoxyethyl(3-methoxypropyl)carbamoyl]amino]ethoxy]acetic acid
CID 79463155
methyl 4-[tert-butylcarbamoyl(methyl)amino]butanoate
CID 55028566
methyl 3-[[methyl(3-methylidenepentyl)carbamoyl]amino]propanoate
CID 166798073
2-[2-[[(2-amino-2-oxoethyl)-butylcarbamoyl]amino]ethoxy]acetic acid
CID 79463056
1-[[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434214

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid (CID 79464132) is 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid is COC(=O)CCCN(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
The InChIKey is INUMWBGAZQIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-13(6-3-4-10(16)18-2)11(17)12-5-7-19-8-9(14)15/h3-8H2,1-2H3,(H,12,17)(H,14,15).
What are the key properties of 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid?
2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid has a molecular weight of 276.29 g/mol, XLogP of -0.32, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(4-methoxy-4-oxobutyl)-methylcarbamoyl]amino]ethoxy]acetic acid is sourced from PubChem (CID 79464132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).