methyl 2-(ethoxycarbonylamino)acetate

C6H11NO4 — CID 10997351

IUPACmethyl 2-(ethoxycarbonylamino)acetate
SMILESCCOC(=O)NCC(=O)OC
InChIInChI=1S/C6H11NO4/c1-3-11-6(9)7-4-5(8)10-2/h3-4H2,1-2H3,(H,7,9)
InChIKeyJHESHOHUMIZHMB-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.09
Rot. Bonds3

About methyl 2-(ethoxycarbonylamino)acetate

methyl 2-(ethoxycarbonylamino)acetate (PubChem CID 10997351) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 2-(ethoxycarbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(ethoxycarbonylamino)acetate
PubChem CID10997351
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl 2-(ethoxycarbonylamino)acetate
SMILESCCOC(=O)NCC(=O)OC
InChIInChI=1S/C6H11NO4/c1-3-11-6(9)7-4-5(8)10-2/h3-4H2,1-2H3,(H,7,9)
InChIKeyJHESHOHUMIZHMB-UHFFFAOYSA-N
XLogP-0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethoxycarbonylamino)acetate?
The IUPAC name of methyl 2-(ethoxycarbonylamino)acetate (CID 10997351) is methyl 2-(ethoxycarbonylamino)acetate.
What is the SMILES notation for methyl 2-(ethoxycarbonylamino)acetate?
The canonical SMILES for methyl 2-(ethoxycarbonylamino)acetate is CCOC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(ethoxycarbonylamino)acetate?
The InChIKey is JHESHOHUMIZHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-3-11-6(9)7-4-5(8)10-2/h3-4H2,1-2H3,(H,7,9).
What are the key properties of methyl 2-(ethoxycarbonylamino)acetate?
methyl 2-(ethoxycarbonylamino)acetate has a molecular weight of 161.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethoxycarbonylamino)acetate is sourced from PubChem (CID 10997351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).