methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate

C12H23NO3 — CID 82837837

IUPACmethyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate
SMILESCCC(C)NC(C(=O)OC)C1CCC(C)O1
InChIInChI=1S/C12H23NO3/c1-5-8(2)13-11(12(14)15-4)10-7-6-9(3)16-10/h8-11,13H,5-7H2,1-4H3
InChIKeyFENIQMKVGOEOQU-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.48
Rot. Bonds5

About methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate

methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate (PubChem CID 82837837) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate
PubChem CID82837837
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate
SMILESCCC(C)NC(C(=O)OC)C1CCC(C)O1
InChIInChI=1S/C12H23NO3/c1-5-8(2)13-11(12(14)15-4)10-7-6-9(3)16-10/h8-11,13H,5-7H2,1-4H3
InChIKeyFENIQMKVGOEOQU-UHFFFAOYSA-N
XLogP1.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate?
The IUPAC name of methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate (CID 82837837) is methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate.
What is the SMILES notation for methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate?
The canonical SMILES for methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate is CCC(C)NC(C(=O)OC)C1CCC(C)O1.
What is the InChIKey of methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate?
The InChIKey is FENIQMKVGOEOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-8(2)13-11(12(14)15-4)10-7-6-9(3)16-10/h8-11,13H,5-7H2,1-4H3.
What are the key properties of methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate?
methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(butan-2-ylamino)-2-(5-methyloxolan-2-yl)acetate is sourced from PubChem (CID 82837837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).