oxolan-3-yl 2-(2-methylpropylamino)acetate

C10H19NO3 — CID 63559275

IUPACoxolan-3-yl 2-(2-methylpropylamino)acetate
SMILESCC(C)CNCC(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(2)5-11-6-10(12)14-9-3-4-13-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyBOJORGBUODMPFZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds5

About oxolan-3-yl 2-(2-methylpropylamino)acetate

oxolan-3-yl 2-(2-methylpropylamino)acetate (PubChem CID 63559275) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxolan-3-yl 2-(2-methylpropylamino)acetate.

Molecular Properties

Compound Nameoxolan-3-yl 2-(2-methylpropylamino)acetate
PubChem CID63559275
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxolan-3-yl 2-(2-methylpropylamino)acetate
SMILESCC(C)CNCC(=O)OC1CCOC1
InChIInChI=1S/C10H19NO3/c1-8(2)5-11-6-10(12)14-9-3-4-13-7-9/h8-9,11H,3-7H2,1-2H3
InChIKeyBOJORGBUODMPFZ-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 oxolan-3-yl 2-(2-methylpropylamino)acetate?
The IUPAC name of oxolan-3-yl 2-(2-methylpropylamino)acetate (CID 63559275) is oxolan-3-yl 2-(2-methylpropylamino)acetate.
What is the SMILES notation for oxolan-3-yl 2-(2-methylpropylamino)acetate?
The canonical SMILES for oxolan-3-yl 2-(2-methylpropylamino)acetate is CC(C)CNCC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 2-(2-methylpropylamino)acetate?
The InChIKey is BOJORGBUODMPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)5-11-6-10(12)14-9-3-4-13-7-9/h8-9,11H,3-7H2,1-2H3.
What are the key properties of oxolan-3-yl 2-(2-methylpropylamino)acetate?
oxolan-3-yl 2-(2-methylpropylamino)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 oxolan-3-yl 2-(2-methylpropylamino)acetate is sourced from PubChem (CID 63559275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).