ethyl 2-(oxolane-2-carbonylamino)acetate

C9H15NO4 — CID 3550164

IUPACethyl 2-(oxolane-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1CCCO1
InChIInChI=1S/C9H15NO4/c1-2-13-8(11)6-10-9(12)7-4-3-5-14-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyDCDQUGCBQFFLFJ-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.16
Rot. Bonds4

About ethyl 2-(oxolane-2-carbonylamino)acetate

ethyl 2-(oxolane-2-carbonylamino)acetate (PubChem CID 3550164) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-(oxolane-2-carbonylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(oxolane-2-carbonylamino)acetate
PubChem CID3550164
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-(oxolane-2-carbonylamino)acetate
SMILESCCOC(=O)CNC(=O)C1CCCO1
InChIInChI=1S/C9H15NO4/c1-2-13-8(11)6-10-9(12)7-4-3-5-14-7/h7H,2-6H2,1H3,(H,10,12)
InChIKeyDCDQUGCBQFFLFJ-UHFFFAOYSA-N
XLogP-0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolane-2-carbonylamino)acetate?
The IUPAC name of ethyl 2-(oxolane-2-carbonylamino)acetate (CID 3550164) is ethyl 2-(oxolane-2-carbonylamino)acetate.
What is the SMILES notation for ethyl 2-(oxolane-2-carbonylamino)acetate?
The canonical SMILES for ethyl 2-(oxolane-2-carbonylamino)acetate is CCOC(=O)CNC(=O)C1CCCO1.
What is the InChIKey of ethyl 2-(oxolane-2-carbonylamino)acetate?
The InChIKey is DCDQUGCBQFFLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-13-8(11)6-10-9(12)7-4-3-5-14-7/h7H,2-6H2,1H3,(H,10,12).
What are the key properties of ethyl 2-(oxolane-2-carbonylamino)acetate?
ethyl 2-(oxolane-2-carbonylamino)acetate has a molecular weight of 201.22 g/mol, XLogP of -0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolane-2-carbonylamino)acetate is sourced from PubChem (CID 3550164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).