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Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride

C10H22Cl2N2O3 — CID 154832910

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride
SMILESCNC(CCN1CCOCC1)C(=O)OC.Cl.Cl
InChIInChI=1S/C10H20N2O3.2ClH/c1-11-9(10(13)14-2)3-4-12-5-7-15-8-6-12;;/h9,11H,3-8H2,1-2H3;2*1H
InChIKeyDGYGXTLRJXPCTB-UHFFFAOYSA-N
MW289.20 g/mol
LogP0.31
Rot. Bonds5

About Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride

Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride (PubChem CID 154832910) has the molecular formula C10H22Cl2N2O3 and a molecular weight of 289.20 g/mol. Its IUPAC name is methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride.

Molecular Properties

Compound NameMethyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride
PubChem CID154832910
Molecular FormulaC10H22Cl2N2O3
Molecular Weight289.20 g/mol
Exact Mass288.10
IUPAC Namemethyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride
SMILESCNC(CCN1CCOCC1)C(=O)OC.Cl.Cl
InChIInChI=1S/C10H20N2O3.2ClH/c1-11-9(10(13)14-2)3-4-12-5-7-15-8-6-12;;/h9,11H,3-8H2,1-2H3;2*1H
InChIKeyDGYGXTLRJXPCTB-UHFFFAOYSA-N
XLogP0.31
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 50.31
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;dihydrochloride?
The IUPAC name of Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride (CID 154832910) is methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride.
What is the SMILES notation for Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride?
The canonical SMILES for Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride is CNC(CCN1CCOCC1)C(=O)OC.Cl.Cl.
What is the InChIKey of Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride?
The InChIKey is DGYGXTLRJXPCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.2ClH/c1-11-9(10(13)14-2)3-4-12-5-7-15-8-6-12;;/h9,11H,3-8H2,1-2H3;2*1H.
What are the key properties of Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride?
Methyl 2-(methylamino)-4-morpholin-4-ylbutanoate;dihydrochloride has a molecular weight of 289.20 g/mol, XLogP of 0.31, 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;dihydrochloride is sourced from PubChem (CID 154832910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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