(2-ethoxy-2-oxoethyl) 2-acetamidoacetate

C8H13NO5 — CID 4227127

IUPAC(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
SMILESCCOC(=O)COC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO5/c1-3-13-8(12)5-14-7(11)4-9-6(2)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyUKNOZSDYHQRSES-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.77
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-acetamidoacetate

(2-ethoxy-2-oxoethyl) 2-acetamidoacetate (PubChem CID 4227127) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-acetamidoacetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
PubChem CID4227127
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
SMILESCCOC(=O)COC(=O)CNC(C)=O
InChIInChI=1S/C8H13NO5/c1-3-13-8(12)5-14-7(11)4-9-6(2)10/h3-5H2,1-2H3,(H,9,10)
InChIKeyUKNOZSDYHQRSES-UHFFFAOYSA-N
XLogP-0.77
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
ethyl 2-(carbamoyl(15N)amino)acetate
CID 46781708
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
(2-ethoxy-2-oxoethyl) 2-benzamidoacetate
CID 134093202
(2-ethoxy-2-oxoethyl)carbamothioic S-acid
CID 123218548
ethyl 2-[(2-acetamidoacetyl)-methylamino]acetate
CID 55207467
(2-ethoxy-2-oxoethyl) 2-hydroxyacetate
CID 57037342
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyloxy]acetate
CID 125471896
ethyl 2-(cyclopropanecarbonylamino)acetate
CID 5228151
ethyl 2-[1-[2-(prop-1-en-2-ylamino)ethylamino]ethenylamino]acetate
CID 88578250
6-O-(2-ethoxy-2-oxoethyl) 1-O-ethyl hexanedioate
CID 155066194
CID 172843337
CID 172843337

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-acetamidoacetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-acetamidoacetate (CID 4227127) is (2-ethoxy-2-oxoethyl) 2-acetamidoacetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-acetamidoacetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-acetamidoacetate is CCOC(=O)COC(=O)CNC(C)=O.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-acetamidoacetate?
The InChIKey is UKNOZSDYHQRSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-3-13-8(12)5-14-7(11)4-9-6(2)10/h3-5H2,1-2H3,(H,9,10).
What are the key properties of (2-ethoxy-2-oxoethyl) 2-acetamidoacetate?
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate has a molecular weight of 203.19 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-acetamidoacetate is sourced from PubChem (CID 4227127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).