ethyl 2-oxo-2-(2-oxopropylamino)acetate

C7H11NO4 — CID 57348900

IUPACethyl 2-oxo-2-(2-oxopropylamino)acetate
SMILESCCOC(=O)C(=O)NCC(C)=O
InChIInChI=1S/C7H11NO4/c1-3-12-7(11)6(10)8-4-5(2)9/h3-4H2,1-2H3,(H,8,10)
InChIKeyITJNGUUXCZIMTD-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.75
Rot. Bonds3

About ethyl 2-oxo-2-(2-oxopropylamino)acetate

ethyl 2-oxo-2-(2-oxopropylamino)acetate (PubChem CID 57348900) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl 2-oxo-2-(2-oxopropylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(2-oxopropylamino)acetate
PubChem CID57348900
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Nameethyl 2-oxo-2-(2-oxopropylamino)acetate
SMILESCCOC(=O)C(=O)NCC(C)=O
InChIInChI=1S/C7H11NO4/c1-3-12-7(11)6(10)8-4-5(2)9/h3-4H2,1-2H3,(H,8,10)
InChIKeyITJNGUUXCZIMTD-UHFFFAOYSA-N
XLogP-0.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
CID 60894132
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
CID 91619483
ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
ethyl 2-oxo-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]acetate
CID 79351134
ethyl 2-[(2-hex-5-enoxy-2-oxoethyl)amino]-2-oxoacetate
CID 86683904
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 2-[2-[ethyl(methyl)amino]ethylamino]-2-oxoacetate
CID 62635568
ethyl 2-[(3-oxobutanoylamino)methyl]prop-2-enoate
CID 141340682
ethyl 2-[2-(diethylamino)propylamino]-2-oxoacetate
CID 112502188

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(2-oxopropylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(2-oxopropylamino)acetate (CID 57348900) is ethyl 2-oxo-2-(2-oxopropylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(2-oxopropylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(2-oxopropylamino)acetate is CCOC(=O)C(=O)NCC(C)=O.
What is the InChIKey of ethyl 2-oxo-2-(2-oxopropylamino)acetate?
The InChIKey is ITJNGUUXCZIMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-3-12-7(11)6(10)8-4-5(2)9/h3-4H2,1-2H3,(H,8,10).
What are the key properties of ethyl 2-oxo-2-(2-oxopropylamino)acetate?
ethyl 2-oxo-2-(2-oxopropylamino)acetate has a molecular weight of 173.17 g/mol, XLogP of -0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(2-oxopropylamino)acetate is sourced from PubChem (CID 57348900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).