(3-methylmorpholin-2-yl) 2-methylpropanoate

C9H17NO3 — CID 174920145

IUPAC(3-methylmorpholin-2-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1OCCNC1C
InChIInChI=1S/C9H17NO3/c1-6(2)8(11)13-9-7(3)10-4-5-12-9/h6-7,9-10H,4-5H2,1-3H3
InChIKeyGJUQURLDMJMGJK-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.52
Rot. Bonds2

About (3-methylmorpholin-2-yl) 2-methylpropanoate

(3-methylmorpholin-2-yl) 2-methylpropanoate (PubChem CID 174920145) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (3-methylmorpholin-2-yl) 2-methylpropanoate.

Molecular Properties

Compound Name(3-methylmorpholin-2-yl) 2-methylpropanoate
PubChem CID174920145
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(3-methylmorpholin-2-yl) 2-methylpropanoate
SMILESCC(C)C(=O)OC1OCCNC1C
InChIInChI=1S/C9H17NO3/c1-6(2)8(11)13-9-7(3)10-4-5-12-9/h6-7,9-10H,4-5H2,1-3H3
InChIKeyGJUQURLDMJMGJK-UHFFFAOYSA-N
XLogP0.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylmorpholin-2-yl) 2-methylpropanoate?
The IUPAC name of (3-methylmorpholin-2-yl) 2-methylpropanoate (CID 174920145) is (3-methylmorpholin-2-yl) 2-methylpropanoate.
What is the SMILES notation for (3-methylmorpholin-2-yl) 2-methylpropanoate?
The canonical SMILES for (3-methylmorpholin-2-yl) 2-methylpropanoate is CC(C)C(=O)OC1OCCNC1C.
What is the InChIKey of (3-methylmorpholin-2-yl) 2-methylpropanoate?
The InChIKey is GJUQURLDMJMGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)8(11)13-9-7(3)10-4-5-12-9/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of (3-methylmorpholin-2-yl) 2-methylpropanoate?
(3-methylmorpholin-2-yl) 2-methylpropanoate has a molecular weight of 187.24 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylmorpholin-2-yl) 2-methylpropanoate is sourced from PubChem (CID 174920145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).