ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate

C10H15NO4 — CID 171098969

IUPACethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(C)C(=O)C1CC1
InChIInChI=1S/C10H15NO4/c1-3-15-10(14)9(13)11-6(2)8(12)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyZWFIDWZYAFJIMN-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.03
Rot. Bonds4

About ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate

ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate (PubChem CID 171098969) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
PubChem CID171098969
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NC(C)C(=O)C1CC1
InChIInChI=1S/C10H15NO4/c1-3-15-10(14)9(13)11-6(2)8(12)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,13)
InChIKeyZWFIDWZYAFJIMN-UHFFFAOYSA-N
XLogP0.03
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.03
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

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CID 5001766
ethyl 2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]-2-oxoacetate
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ethyl 2-cyclopropyl-2-oxoacetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate (CID 171098969) is ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)NC(C)C(=O)C1CC1.
What is the InChIKey of ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate?
The InChIKey is ZWFIDWZYAFJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-15-10(14)9(13)11-6(2)8(12)7-4-5-7/h6-7H,3-5H2,1-2H3,(H,11,13).
What are the key properties of ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate?
ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate has a molecular weight of 213.23 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate is sourced from PubChem (CID 171098969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).