3-(hydroxyiminomethyl)morpholine-4-carboxylic acid

C6H10N2O4 — CID 143095283

IUPAC3-(hydroxyiminomethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1C=NO
InChIInChI=1S/C6H10N2O4/c9-6(10)8-1-2-12-4-5(8)3-7-11/h3,5,11H,1-2,4H2,(H,9,10)
InChIKeyIGYQNHCUKSQZQA-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.17
Rot. Bonds1

About 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid

3-(hydroxyiminomethyl)morpholine-4-carboxylic acid (PubChem CID 143095283) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxyiminomethyl)morpholine-4-carboxylic acid
PubChem CID143095283
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name3-(hydroxyiminomethyl)morpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1C=NO
InChIInChI=1S/C6H10N2O4/c9-6(10)8-1-2-12-4-5(8)3-7-11/h3,5,11H,1-2,4H2,(H,9,10)
InChIKeyIGYQNHCUKSQZQA-UHFFFAOYSA-N
XLogP-0.17
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxymorpholine-4-carboxylic acid
CID 66845221
3-formyl-N-methylmorpholine-4-carboxamide
CID 176672537
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
(3S)-3-(methylsulfonyloxymethyl)morpholine-4-carboxylic acid
CID 170344357
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
CID 76926390
(3R)-3-[4-(nitrosomethyl)phenyl]morpholine-4-carboxylic acid
CID 123840193
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
CID 115588328
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
2-methyl-1-(3-propan-2-ylmorpholin-4-yl)propan-1-one
CID 139553994

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid?
The IUPAC name of 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid (CID 143095283) is 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid.
What is the SMILES notation for 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid?
The canonical SMILES for 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid is O=C(O)N1CCOCC1C=NO.
What is the InChIKey of 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid?
The InChIKey is IGYQNHCUKSQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-6(10)8-1-2-12-4-5(8)3-7-11/h3,5,11H,1-2,4H2,(H,9,10).
What are the key properties of 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid?
3-(hydroxyiminomethyl)morpholine-4-carboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyiminomethyl)morpholine-4-carboxylic acid is sourced from PubChem (CID 143095283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).