2-(methoxycarbonylamino)ethyl acetate

C6H11NO4 — CID 12702078

IUPAC2-(methoxycarbonylamino)ethyl acetate
SMILESCOC(=O)NCCOC(C)=O
InChIInChI=1S/C6H11NO4/c1-5(8)11-4-3-7-6(9)10-2/h3-4H2,1-2H3,(H,7,9)
InChIKeyLHQUSXRVOTZOHQ-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.09
Rot. Bonds3

About 2-(methoxycarbonylamino)ethyl acetate

2-(methoxycarbonylamino)ethyl acetate (PubChem CID 12702078) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)ethyl acetate.

Molecular Properties

Compound Name2-(methoxycarbonylamino)ethyl acetate
PubChem CID12702078
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-(methoxycarbonylamino)ethyl acetate
SMILESCOC(=O)NCCOC(C)=O
InChIInChI=1S/C6H11NO4/c1-5(8)11-4-3-7-6(9)10-2/h3-4H2,1-2H3,(H,7,9)
InChIKeyLHQUSXRVOTZOHQ-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

Computed Properties (RDKit)

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

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Related Compounds

Ethyl acetamidoacetate
CID 74702
2-Acetamidoethyl acetate
CID 85319
Glycine, N-formyl-, ethyl ester
CID 76615
Ethyl 2-(ethoxycarbonylamino)acetate
CID 226277
Methyl N-(ethoxycarbonyl)glycinate
CID 10997351
Ethanol, 2,2'-iminobis-, 1,1'-diacetate
CID 103226
2-(Methylamino)ethyl acetate
CID 11528378
Methyl 2-[(methoxycarbonyl)amino]acetate
CID 14133519
Ethyl 2-(((chloromethoxy)carbonyl)amino)acetate
CID 124705621
2-Acetamidoethyl 2-fluoroacetate
CID 45254008
Ethyl 2-((methoxycarbonyl)amino)acetate
CID 235150
Methoxyethyl urethane
CID 3281290

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)ethyl acetate?
The IUPAC name of 2-(methoxycarbonylamino)ethyl acetate (CID 12702078) is 2-(methoxycarbonylamino)ethyl acetate.
What is the SMILES notation for 2-(methoxycarbonylamino)ethyl acetate?
The canonical SMILES for 2-(methoxycarbonylamino)ethyl acetate is COC(=O)NCCOC(C)=O.
What is the InChIKey of 2-(methoxycarbonylamino)ethyl acetate?
The InChIKey is LHQUSXRVOTZOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-5(8)11-4-3-7-6(9)10-2/h3-4H2,1-2H3,(H,7,9).
What are the key properties of 2-(methoxycarbonylamino)ethyl acetate?
2-(methoxycarbonylamino)ethyl 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 2-(methoxycarbonylamino)ethyl acetate is sourced from PubChem (CID 12702078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).