tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine

C15H32N4O6 — CID 159531809

IUPACtert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1CON.NOC[C@H]1COCCN1
InChIInChI=1S/C10H20N2O4.C5H12N2O2/c1-10(2,3)16-9(13)12-4-5-14-6-8(12)7-15-11;6-9-4-5-3-8-2-1-7-5/h8H,4-7,11H2,1-3H3;5,7H,1-4,6H2/t8-;5-/m11/s1
InChIKeyMDCANVVFHFFCHT-AKUDJJMXSA-N
MW364.44 g/mol
LogP-0.62
Rot. Bonds4

About tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine

tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine (PubChem CID 159531809) has the molecular formula C15H32N4O6 and a molecular weight of 364.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine.

Molecular Properties

Compound Nametert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
PubChem CID159531809
Molecular FormulaC15H32N4O6
Molecular Weight364.44 g/mol
Exact Mass364.23
IUPAC Nametert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1CON.NOC[C@H]1COCCN1
InChIInChI=1S/C10H20N2O4.C5H12N2O2/c1-10(2,3)16-9(13)12-4-5-14-6-8(12)7-15-11;6-9-4-5-3-8-2-1-7-5/h8H,4-7,11H2,1-3H3;5,7H,1-4,6H2/t8-;5-/m11/s1
InChIKeyMDCANVVFHFFCHT-AKUDJJMXSA-N
XLogP-0.62
TPSA130.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (3S)-3-(aminomethyl)morpholine-4-carboxylate;hydrochloride
CID 84819306
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (3S)-3-(1-fluoroethoxymethyl)morpholine-4-carboxylate
CID 134168093
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
tert-butyl 3-[2-(chloromethoxy)-2-oxoethyl]morpholine-4-carboxylate
CID 165438860
tert-butyl 2-(aminooxymethyl)piperidine-1-carboxylate
CID 82040400
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 170738312
2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]pentanoic acid
CID 174175731
tert-butyl 3-[(dicyclopropylmethylamino)methyl]morpholine-4-carboxylate
CID 107249604
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine?
The IUPAC name of tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine (CID 159531809) is tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine.
What is the SMILES notation for tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine?
The canonical SMILES for tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine is CC(C)(C)OC(=O)N1CCOC[C@@H]1CON.NOC[C@H]1COCCN1.
What is the InChIKey of tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine?
The InChIKey is MDCANVVFHFFCHT-AKUDJJMXSA-N. The full InChI is InChI=1S/C10H20N2O4.C5H12N2O2/c1-10(2,3)16-9(13)12-4-5-14-6-8(12)7-15-11;6-9-4-5-3-8-2-1-7-5/h8H,4-7,11H2,1-3H3;5,7H,1-4,6H2/t8-;5-/m11/s1.
What are the key properties of tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine?
tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine has a molecular weight of 364.44 g/mol, XLogP of -0.62, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(aminooxymethyl)morpholine-4-carboxylate;O-[[(3R)-morpholin-3-yl]methyl]hydroxylamine is sourced from PubChem (CID 159531809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).