2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid

C9H15NO6 — CID 115538733

IUPAC2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
SMILESCCOC(=O)CN(C)C(=O)COCC(=O)O
InChIInChI=1S/C9H15NO6/c1-3-16-9(14)4-10(2)7(11)5-15-6-8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyGBDINEKJOFYYFZ-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.89
Rot. Bonds7

About 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid

2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid (PubChem CID 115538733) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
PubChem CID115538733
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Name2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid
SMILESCCOC(=O)CN(C)C(=O)COCC(=O)O
InChIInChI=1S/C9H15NO6/c1-3-16-9(14)4-10(2)7(11)5-15-6-8(12)13/h3-6H2,1-2H3,(H,12,13)
InChIKeyGBDINEKJOFYYFZ-UHFFFAOYSA-N
XLogP-0.89
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxy-2-oxoethoxy)acetic acid
CID 11305696
2-[2-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-oxoethoxy]acetic acid
CID 61327891
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
CID 61328078
2-[2-[[(2-ethoxy-2-oxoethyl)-methylcarbamoyl]amino]ethoxy]acetic acid
CID 79463361
2-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61327311
ethyl 2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetate
CID 55207593
2-[2-[methyl(pentyl)amino]-2-oxoethoxy]acetic acid
CID 61328408
2-[2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethoxy]acetic acid
CID 61329426
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
(2-ethoxy-2-oxoethyl)-methylcarbamodithioic acid
CID 10051757
2-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-oxoethoxy]acetic acid
CID 61426198

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid (CID 115538733) is 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid is CCOC(=O)CN(C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid?
The InChIKey is GBDINEKJOFYYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-3-16-9(14)4-10(2)7(11)5-15-6-8(12)13/h3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid?
2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid has a molecular weight of 233.22 g/mol, XLogP of -0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 115538733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).