methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate

C9H19N2O3+ — CID 123940602

IUPACmethyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate
SMILESCN[N+]1(C)CCOCC1CC(=O)OC
InChIInChI=1S/C9H19N2O3/c1-10-11(2)4-5-14-7-8(11)6-9(12)13-3/h8,10H,4-7H2,1-3H3/q+1
InChIKeyOZANKQVFUIIKNE-UHFFFAOYSA-N
MW203.26 g/mol
LogP-0.47
Rot. Bonds3

About methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate

methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate (PubChem CID 123940602) has the molecular formula C9H19N2O3+ and a molecular weight of 203.26 g/mol. Its IUPAC name is methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate
PubChem CID123940602
Molecular FormulaC9H19N2O3+
Molecular Weight203.26 g/mol
Exact Mass203.14
IUPAC Namemethyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate
SMILESCN[N+]1(C)CCOCC1CC(=O)OC
InChIInChI=1S/C9H19N2O3/c1-10-11(2)4-5-14-7-8(11)6-9(12)13-3/h8,10H,4-7H2,1-3H3/q+1
InChIKeyOZANKQVFUIIKNE-UHFFFAOYSA-N
XLogP-0.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-morpholin-4-ium-3-ylacetate
CID 57847683
Methyl 2-[2-methyl-4-(propan-2-ylamino)morpholin-3-yl]acetate
CID 123425553
Methyl 2-[2-methyl-4-(methylamino)morpholin-3-yl]acetate
CID 123814538
2-[2-Methyl-4-(methylamino)morpholin-3-yl]acetic acid
CID 123985697
2-[4-(Methylamino)morpholin-3-yl]acetic acid
CID 132229152
Ethane;methyl 2-morpholin-3-ylacetate
CID 142578691
Ethane;ethyl 2-morpholin-3-ylacetate
CID 144337467
Propyl 2-morpholin-3-ylacetate
CID 80419443
Butyl 2-morpholin-3-ylacetate
CID 80419473
Methyl 2-(morpholin-4-ylamino)butanoate
CID 83009116
Methyl 3-amino-2-(morpholin-4-ylamino)propanoate
CID 83014413
Ethyl 3-(morpholin-4-ylamino)butanoate
CID 83020960

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate?
The IUPAC name of methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate (CID 123940602) is methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate?
The canonical SMILES for methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate is CN[N+]1(C)CCOCC1CC(=O)OC.
What is the InChIKey of methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate?
The InChIKey is OZANKQVFUIIKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2O3/c1-10-11(2)4-5-14-7-8(11)6-9(12)13-3/h8,10H,4-7H2,1-3H3/q+1.
What are the key properties of methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate?
methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate has a molecular weight of 203.26 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-4-(methylamino)morpholin-4-ium-3-yl]acetate is sourced from PubChem (CID 123940602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).