ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate

C8H14N2O4 — CID 60894132

IUPACethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
SMILESCCNC(=O)CNC(=O)C(=O)OCC
InChIInChI=1S/C8H14N2O4/c1-3-9-6(11)5-10-7(12)8(13)14-4-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyXCFRKDCXVYGYAL-UHFFFAOYSA-N
MW202.21 g/mol
LogP-1.20
Rot. Bonds4

About ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate

ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate (PubChem CID 60894132) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
PubChem CID60894132
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Nameethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate
SMILESCCNC(=O)CNC(=O)C(=O)OCC
InChIInChI=1S/C8H14N2O4/c1-3-9-6(11)5-10-7(12)8(13)14-4-2/h3-5H2,1-2H3,(H,9,11)(H,10,12)
InChIKeyXCFRKDCXVYGYAL-UHFFFAOYSA-N
XLogP-1.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-1.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 57348900
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-oxoacetate
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ethyl 2-[12-[(2-ethoxy-2-oxoacetyl)amino]dodecylamino]-2-oxoacetate
CID 102308082
2-[(2-bromoacetyl)amino]-N-ethylacetamide
CID 58987159
ethyl 2-(2-methylpropylamino)-2-oxoacetate
CID 4143950
1-O-ethyl 4-O-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] (E)-but-2-enedioate
CID 9015305
methyl 2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]acetate
CID 112616762
ethyl 2-[[2-(4-methylsulfanylphenyl)-2-oxoethyl]amino]-2-oxoacetate
CID 144563894
N-ethyl-2-(phosphanylcarbonylamino)acetamide
CID 156853608
N-ethylpropanamide;ethyl propanoate
CID 90984827
ethyl 2-oxo-2-(propan-2-ylamino)acetate
CID 5001766
N-ethyl-2-(methoxyamino)acetamide
CID 60702282

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate (CID 60894132) is ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate is CCNC(=O)CNC(=O)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate?
The InChIKey is XCFRKDCXVYGYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-3-9-6(11)5-10-7(12)8(13)14-4-2/h3-5H2,1-2H3,(H,9,11)(H,10,12).
What are the key properties of ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate?
ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate has a molecular weight of 202.21 g/mol, XLogP of -1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoacetate is sourced from PubChem (CID 60894132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).