(6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid

C6H10N2O4 — CID 88536933

IUPAC(6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid
SMILESO=C(O)N1CCOC/C(=N/O)C1
InChIInChI=1S/C6H10N2O4/c9-6(10)8-1-2-12-4-5(3-8)7-11/h11H,1-4H2,(H,9,10)/b7-5+
InChIKeyZLNHUEPMMNTDNW-FNORWQNLSA-N
MW174.16 g/mol
LogP-0.17
Rot. Bonds

About (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid

(6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid (PubChem CID 88536933) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid.

Molecular Properties

Compound Name(6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid
PubChem CID88536933
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name(6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid
SMILESO=C(O)N1CCOC/C(=N/O)C1
InChIInChI=1S/C6H10N2O4/c9-6(10)8-1-2-12-4-5(3-8)7-11/h11H,1-4H2,(H,9,10)/b7-5+
InChIKeyZLNHUEPMMNTDNW-FNORWQNLSA-N
XLogP-0.17
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
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

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N-morpholin-4-ylmorpholine-4-carboxamide
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7-oxo-2,3,5,6-tetrahydropyrido[2,3-f][1,4]oxazepine-4-carboxylic acid
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(Z)-2,3-dichloro-4-morpholin-4-yl-4-oxobut-2-enoic acid
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methyl morpholine-4-carboxylate
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6-aminooxy-1,4-oxazepane-4-carboxylic acid
CID 90220300
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1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
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CID 20707611

Frequently Asked Questions

What is the IUPAC name of (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid?
The IUPAC name of (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid (CID 88536933) is (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid.
What is the SMILES notation for (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid?
The canonical SMILES for (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid is O=C(O)N1CCOC/C(=N/O)C1.
What is the InChIKey of (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid?
The InChIKey is ZLNHUEPMMNTDNW-FNORWQNLSA-N. The full InChI is InChI=1S/C6H10N2O4/c9-6(10)8-1-2-12-4-5(3-8)7-11/h11H,1-4H2,(H,9,10)/b7-5+.
What are the key properties of (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid?
(6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid has a molecular weight of 174.16 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-hydroxyimino-1,4-oxazepane-4-carboxylic acid is sourced from PubChem (CID 88536933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).