2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid

C10H20N2O4 — CID 87400743

IUPAC2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)NOCC1CN(C(=O)O)CCO1
InChIInChI=1S/C10H20N2O4/c1-10(2,3)11-16-7-8-6-12(9(13)14)4-5-15-8/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyQEDRANJVFYPDHB-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.68
Rot. Bonds3

About 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid

2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid (PubChem CID 87400743) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid
PubChem CID87400743
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid
SMILESCC(C)(C)NOCC1CN(C(=O)O)CCO1
InChIInChI=1S/C10H20N2O4/c1-10(2,3)11-16-7-8-6-12(9(13)14)4-5-15-8/h8,11H,4-7H2,1-3H3,(H,13,14)
InChIKeyQEDRANJVFYPDHB-UHFFFAOYSA-N
XLogP0.68
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethylmorpholine-4-carboxylic acid
CID 121455686
(2R)-2-(methylaminomethyl)morpholine-4-carboxylic acid
CID 138694205
(2S)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]morpholine-4-carboxylic acid
CID 68684608
(2S)-2-(2-bromoethoxymethyl)morpholine-4-carboxylic acid
CID 155438694
2-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]morpholine-4-carboxylic acid
CID 175467976
2-[[[(2S,5R)-6-hydroxy-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbonyl]amino]oxymethyl]morpholine-4-carboxylic acid
CID 90220427
1-[(2S)-2-[(tert-butylamino)methyl]morpholin-4-yl]-2-methoxyethanone
CID 164818410
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 81204121

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid?
The IUPAC name of 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid (CID 87400743) is 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid.
What is the SMILES notation for 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid?
The canonical SMILES for 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid is CC(C)(C)NOCC1CN(C(=O)O)CCO1.
What is the InChIKey of 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid?
The InChIKey is QEDRANJVFYPDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)11-16-7-8-6-12(9(13)14)4-5-15-8/h8,11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid?
2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)oxymethyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 87400743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).