2-(4-methylmorpholin-4-ium-4-yl)acetic acid

C7H14NO3+ — CID 5249655

IUPAC2-(4-methylmorpholin-4-ium-4-yl)acetic acid
SMILESC[N+]1(CC(=O)O)CCOCC1
InChIInChI=1S/C7H13NO3/c1-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3/p+1
InChIKeyFTIFGDPEGPMDCA-UHFFFAOYSA-O
MW160.19 g/mol
LogP-0.45
Rot. Bonds2

About 2-(4-methylmorpholin-4-ium-4-yl)acetic acid

2-(4-methylmorpholin-4-ium-4-yl)acetic acid (PubChem CID 5249655) has the molecular formula C7H14NO3+ and a molecular weight of 160.19 g/mol. Its IUPAC name is 2-(4-methylmorpholin-4-ium-4-yl)acetic acid.

Molecular Properties

Compound Name2-(4-methylmorpholin-4-ium-4-yl)acetic acid
PubChem CID5249655
Molecular FormulaC7H14NO3+
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name2-(4-methylmorpholin-4-ium-4-yl)acetic acid
SMILESC[N+]1(CC(=O)O)CCOCC1
InChIInChI=1S/C7H13NO3/c1-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3/p+1
InChIKeyFTIFGDPEGPMDCA-UHFFFAOYSA-O
XLogP-0.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)acetic acid?
The IUPAC name of 2-(4-methylmorpholin-4-ium-4-yl)acetic acid (CID 5249655) is 2-(4-methylmorpholin-4-ium-4-yl)acetic acid.
What is the SMILES notation for 2-(4-methylmorpholin-4-ium-4-yl)acetic acid?
The canonical SMILES for 2-(4-methylmorpholin-4-ium-4-yl)acetic acid is C[N+]1(CC(=O)O)CCOCC1.
What is the InChIKey of 2-(4-methylmorpholin-4-ium-4-yl)acetic acid?
The InChIKey is FTIFGDPEGPMDCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO3/c1-8(6-7(9)10)2-4-11-5-3-8/h2-6H2,1H3/p+1.
What are the key properties of 2-(4-methylmorpholin-4-ium-4-yl)acetic acid?
2-(4-methylmorpholin-4-ium-4-yl)acetic acid has a molecular weight of 160.19 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylmorpholin-4-ium-4-yl)acetic acid is sourced from PubChem (CID 5249655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).