ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate

C10H19NO3 — CID 60786874

IUPACethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate
SMILESCCNC(C(=O)OCC)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-3-11-9(10(12)14-4-2)8-5-6-13-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyGTMJPDGGQPYBLV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds5

About ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate

ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate (PubChem CID 60786874) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate
PubChem CID60786874
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate
SMILESCCNC(C(=O)OCC)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-3-11-9(10(12)14-4-2)8-5-6-13-7-8/h8-9,11H,3-7H2,1-2H3
InChIKeyGTMJPDGGQPYBLV-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate?
The IUPAC name of ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate (CID 60786874) is ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate is CCNC(C(=O)OCC)C1CCOC1.
What is the InChIKey of ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate?
The InChIKey is GTMJPDGGQPYBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-11-9(10(12)14-4-2)8-5-6-13-7-8/h8-9,11H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate?
ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate has a molecular weight of 201.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 60786874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).