ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate

C11H21NO3 — CID 60788350

IUPACethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)C)C1CCOC1
InChIInChI=1S/C11H21NO3/c1-4-15-11(13)10(12-8(2)3)9-5-6-14-7-9/h8-10,12H,4-7H2,1-3H3
InChIKeyUUDHHGWXVSCDRZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds5

About ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate

ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate (PubChem CID 60788350) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate
PubChem CID60788350
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate
SMILESCCOC(=O)C(NC(C)C)C1CCOC1
InChIInChI=1S/C11H21NO3/c1-4-15-11(13)10(12-8(2)3)9-5-6-14-7-9/h8-10,12H,4-7H2,1-3H3
InChIKeyUUDHHGWXVSCDRZ-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate (CID 60788350) is ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate is CCOC(=O)C(NC(C)C)C1CCOC1.
What is the InChIKey of ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is UUDHHGWXVSCDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-15-11(13)10(12-8(2)3)9-5-6-14-7-9/h8-10,12H,4-7H2,1-3H3.
What are the key properties of ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 60788350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).