2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid

C9H16N2O6 — CID 102933782

IUPAC2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
SMILESCC1CN(C(=O)NOCC(=O)O)CC(CO)O1
InChIInChI=1S/C9H16N2O6/c1-6-2-11(3-7(4-12)17-6)9(15)10-16-5-8(13)14/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)
InChIKeyORTLZRJZLFNJKK-UHFFFAOYSA-N
MW248.23 g/mol
LogP-1.21
Rot. Bonds4

About 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid

2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid (PubChem CID 102933782) has the molecular formula C9H16N2O6 and a molecular weight of 248.23 g/mol. Its IUPAC name is 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
PubChem CID102933782
Molecular FormulaC9H16N2O6
Molecular Weight248.23 g/mol
Exact Mass248.10
IUPAC Name2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid
SMILESCC1CN(C(=O)NOCC(=O)O)CC(CO)O1
InChIInChI=1S/C9H16N2O6/c1-6-2-11(3-7(4-12)17-6)9(15)10-16-5-8(13)14/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14)
InChIKeyORTLZRJZLFNJKK-UHFFFAOYSA-N
XLogP-1.21
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]oxyacetic acid
CID 114538809
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
CID 102933894
N-(3,5-dichlorophenyl)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxamide
CID 102976072
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 102932290
3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 102933740
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid (CID 102933782) is 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid is CC1CN(C(=O)NOCC(=O)O)CC(CO)O1.
What is the InChIKey of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid?
The InChIKey is ORTLZRJZLFNJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O6/c1-6-2-11(3-7(4-12)17-6)9(15)10-16-5-8(13)14/h6-7,12H,2-5H2,1H3,(H,10,15)(H,13,14).
What are the key properties of 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid?
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid has a molecular weight of 248.23 g/mol, XLogP of -1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]oxyacetic acid is sourced from PubChem (CID 102933782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).