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

C10H19NO3 — CID 60788172

IUPACmethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-7(2)11-9(10(12)13-3)8-4-5-14-6-8/h7-9,11H,4-6H2,1-3H3
InChIKeyLIRXRGMDJCAIEG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.56
Rot. Bonds4

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

methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate (PubChem CID 60788172) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate
PubChem CID60788172
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate
SMILESCOC(=O)C(NC(C)C)C1CCOC1
InChIInChI=1S/C10H19NO3/c1-7(2)11-9(10(12)13-3)8-4-5-14-6-8/h7-9,11H,4-6H2,1-3H3
InChIKeyLIRXRGMDJCAIEG-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
The IUPAC name of methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate (CID 60788172) is methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
The canonical SMILES for methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate is COC(=O)C(NC(C)C)C1CCOC1.
What is the InChIKey of methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
The InChIKey is LIRXRGMDJCAIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(2)11-9(10(12)13-3)8-4-5-14-6-8/h7-9,11H,4-6H2,1-3H3.
What are the key properties of methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate?
methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate has a molecular weight of 201.27 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxolan-3-yl)-2-(propan-2-ylamino)acetate is sourced from PubChem (CID 60788172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).