ethoxycarbonyl 2-amino-2-oxoacetate

C5H7NO5 — CID 174250262

IUPACethoxycarbonyl 2-amino-2-oxoacetate
SMILESCCOC(=O)OC(=O)C(N)=O
InChIInChI=1S/C5H7NO5/c1-2-10-5(9)11-4(8)3(6)7/h2H2,1H3,(H2,6,7)
InChIKeyGJJVMWUTEMVDAX-UHFFFAOYSA-N
MW161.11 g/mol
LogP-0.83
Rot. Bonds1

About ethoxycarbonyl 2-amino-2-oxoacetate

ethoxycarbonyl 2-amino-2-oxoacetate (PubChem CID 174250262) has the molecular formula C5H7NO5 and a molecular weight of 161.11 g/mol. Its IUPAC name is ethoxycarbonyl 2-amino-2-oxoacetate.

Molecular Properties

Compound Nameethoxycarbonyl 2-amino-2-oxoacetate
PubChem CID174250262
Molecular FormulaC5H7NO5
Molecular Weight161.11 g/mol
Exact Mass161.03
IUPAC Nameethoxycarbonyl 2-amino-2-oxoacetate
SMILESCCOC(=O)OC(=O)C(N)=O
InChIInChI=1S/C5H7NO5/c1-2-10-5(9)11-4(8)3(6)7/h2H2,1H3,(H2,6,7)
InChIKeyGJJVMWUTEMVDAX-UHFFFAOYSA-N
XLogP-0.83
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.11
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethoxycarbonyl acetate
CID 169432619
ethyl carbamate
CID 161409576
ethyl carbamate
CID 21202847
CID 175796855
CID 175796855
ethyl carbamate
CID 158786750
magnesium;diethyl carbonate;hydride
CID 173249173
acetylene;diethyl carbonate
CID 87073597
ethyl carbamate;platinum
CID 174699937
ethyl carbamate;bis(2-methylprop-1-ene)
CID 159122273
ethyl carbamate;propanoic acid
CID 158069728
dimethylcarbamoyl ethyl carbonate
CID 139667668
ethoxycarbonyl 2,2-diethylbutanoate
CID 174363813

Frequently Asked Questions

What is the IUPAC name of ethoxycarbonyl 2-amino-2-oxoacetate?
The IUPAC name of ethoxycarbonyl 2-amino-2-oxoacetate (CID 174250262) is ethoxycarbonyl 2-amino-2-oxoacetate.
What is the SMILES notation for ethoxycarbonyl 2-amino-2-oxoacetate?
The canonical SMILES for ethoxycarbonyl 2-amino-2-oxoacetate is CCOC(=O)OC(=O)C(N)=O.
What is the InChIKey of ethoxycarbonyl 2-amino-2-oxoacetate?
The InChIKey is GJJVMWUTEMVDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO5/c1-2-10-5(9)11-4(8)3(6)7/h2H2,1H3,(H2,6,7).
What are the key properties of ethoxycarbonyl 2-amino-2-oxoacetate?
ethoxycarbonyl 2-amino-2-oxoacetate has a molecular weight of 161.11 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycarbonyl 2-amino-2-oxoacetate is sourced from PubChem (CID 174250262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).