methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate

C11H17NO3 — CID 82838186

IUPACmethyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate
SMILESC#CCNC(C(=O)OC)C1CCC(C)O1
InChIInChI=1S/C11H17NO3/c1-4-7-12-10(11(13)14-3)9-6-5-8(2)15-9/h1,8-10,12H,5-7H2,2-3H3
InChIKeyQURLYVFAGQRUPO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.32
Rot. Bonds4

About methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate

methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate (PubChem CID 82838186) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate
PubChem CID82838186
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate
SMILESC#CCNC(C(=O)OC)C1CCC(C)O1
InChIInChI=1S/C11H17NO3/c1-4-7-12-10(11(13)14-3)9-6-5-8(2)15-9/h1,8-10,12H,5-7H2,2-3H3
InChIKeyQURLYVFAGQRUPO-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate?
The IUPAC name of methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate (CID 82838186) is methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate.
What is the SMILES notation for methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate?
The canonical SMILES for methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate is C#CCNC(C(=O)OC)C1CCC(C)O1.
What is the InChIKey of methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate?
The InChIKey is QURLYVFAGQRUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-7-12-10(11(13)14-3)9-6-5-8(2)15-9/h1,8-10,12H,5-7H2,2-3H3.
What are the key properties of methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate?
methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate has a molecular weight of 211.26 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyloxolan-2-yl)-2-(prop-2-ynylamino)acetate is sourced from PubChem (CID 82838186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).