ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate

C9H15NO4 — CID 3412783

IUPACethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate
SMILESCCOC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C9H15NO4/c1-2-13-9(12)8(11)10-6-7-4-3-5-14-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyRVCQXRGEDZJOSS-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.16
Rot. Bonds3

About ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate

ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate (PubChem CID 3412783) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate
PubChem CID3412783
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nameethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate
SMILESCCOC(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C9H15NO4/c1-2-13-9(12)8(11)10-6-7-4-3-5-14-7/h7H,2-6H2,1H3,(H,10,11)
InChIKeyRVCQXRGEDZJOSS-UHFFFAOYSA-N
XLogP-0.16
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate?
The IUPAC name of ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate (CID 3412783) is ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate.
What is the SMILES notation for ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate?
The canonical SMILES for ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate is CCOC(=O)C(=O)NCC1CCCO1.
What is the InChIKey of ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate?
The InChIKey is RVCQXRGEDZJOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-13-9(12)8(11)10-6-7-4-3-5-14-7/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate?
ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate has a molecular weight of 201.22 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-(oxolan-2-ylmethylamino)acetate is sourced from PubChem (CID 3412783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).