2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate

C8H15NO5 — CID 58511808

IUPAC2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate
SMILESCOC(=O)NCCOCCOC(C)=O
InChIInChI=1S/C8H15NO5/c1-7(10)14-6-5-13-4-3-9-8(11)12-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyMETSOHNOQKRAHY-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.08
Rot. Bonds6

About 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate

2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate (PubChem CID 58511808) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate.

Molecular Properties

Compound Name2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate
PubChem CID58511808
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate
SMILESCOC(=O)NCCOCCOC(C)=O
InChIInChI=1S/C8H15NO5/c1-7(10)14-6-5-13-4-3-9-8(11)12-2/h3-6H2,1-2H3,(H,9,11)
InChIKeyMETSOHNOQKRAHY-UHFFFAOYSA-N
XLogP-0.08
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate?
The IUPAC name of 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate (CID 58511808) is 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate.
What is the SMILES notation for 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate?
The canonical SMILES for 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate is COC(=O)NCCOCCOC(C)=O.
What is the InChIKey of 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate?
The InChIKey is METSOHNOQKRAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-7(10)14-6-5-13-4-3-9-8(11)12-2/h3-6H2,1-2H3,(H,9,11).
What are the key properties of 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate?
2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate has a molecular weight of 205.21 g/mol, XLogP of -0.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxycarbonylamino)ethoxy]ethyl acetate is sourced from PubChem (CID 58511808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).