methyl 2-(methylamino)-4-morpholin-4-ylbutanoate

C10H20N2O3 — CID 63029727

IUPACmethyl 2-(methylamino)-4-morpholin-4-ylbutanoate
SMILESCNC(CCN1CCOCC1)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-11-9(10(13)14-2)3-4-12-5-7-15-8-6-12/h9,11H,3-8H2,1-2H3
InChIKeyBWYMEQGBFBBZGQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP-0.53
Rot. Bonds5

About methyl 2-(methylamino)-4-morpholin-4-ylbutanoate

methyl 2-(methylamino)-4-morpholin-4-ylbutanoate (PubChem CID 63029727) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 2-(methylamino)-4-morpholin-4-ylbutanoate
PubChem CID63029727
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 2-(methylamino)-4-morpholin-4-ylbutanoate
SMILESCNC(CCN1CCOCC1)C(=O)OC
InChIInChI=1S/C10H20N2O3/c1-11-9(10(13)14-2)3-4-12-5-7-15-8-6-12/h9,11H,3-8H2,1-2H3
InChIKeyBWYMEQGBFBBZGQ-UHFFFAOYSA-N
XLogP-0.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(methylamino)-4-morpholin-4-ylbutanoate?
The IUPAC name of methyl 2-(methylamino)-4-morpholin-4-ylbutanoate (CID 63029727) is methyl 2-(methylamino)-4-morpholin-4-ylbutanoate.
What is the SMILES notation for methyl 2-(methylamino)-4-morpholin-4-ylbutanoate?
The canonical SMILES for methyl 2-(methylamino)-4-morpholin-4-ylbutanoate is CNC(CCN1CCOCC1)C(=O)OC.
What is the InChIKey of methyl 2-(methylamino)-4-morpholin-4-ylbutanoate?
The InChIKey is BWYMEQGBFBBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-11-9(10(13)14-2)3-4-12-5-7-15-8-6-12/h9,11H,3-8H2,1-2H3.
What are the key properties of methyl 2-(methylamino)-4-morpholin-4-ylbutanoate?
methyl 2-(methylamino)-4-morpholin-4-ylbutanoate has a molecular weight of 216.28 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methylamino)-4-morpholin-4-ylbutanoate is sourced from PubChem (CID 63029727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).