ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate

C11H19NO4 — CID 62026811

IUPACethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)C1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-4-15-10(13)7-12(8(2)3)9-5-6-16-11(9)14/h8-9H,4-7H2,1-3H3
InChIKeyBQFRRQDEAOOGDB-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.58
Rot. Bonds5

About ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate

ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate (PubChem CID 62026811) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate
PubChem CID62026811
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nameethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)C1CCOC1=O
InChIInChI=1S/C11H19NO4/c1-4-15-10(13)7-12(8(2)3)9-5-6-16-11(9)14/h8-9H,4-7H2,1-3H3
InChIKeyBQFRRQDEAOOGDB-UHFFFAOYSA-N
XLogP0.58
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate (CID 62026811) is ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)C1CCOC1=O.
What is the InChIKey of ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate?
The InChIKey is BQFRRQDEAOOGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-4-15-10(13)7-12(8(2)3)9-5-6-16-11(9)14/h8-9H,4-7H2,1-3H3.
What are the key properties of ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate?
ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate has a molecular weight of 229.28 g/mol, XLogP of 0.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-oxooxolan-3-yl)-propan-2-ylamino]acetate is sourced from PubChem (CID 62026811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).