4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

C7H13N3O3 — CID 76920789

IUPAC4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESNC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C7H13N3O3/c8-5(10-12)7(6(9)11)1-3-13-4-2-7/h12H,1-4H2,(H2,8,10)(H2,9,11)
InChIKeyUWDYZMUCDJQYBQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.99
Rot. Bonds2

About 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide

4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (PubChem CID 76920789) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
PubChem CID76920789
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
SMILESNC(=O)C1(C(N)=NO)CCOCC1
InChIInChI=1S/C7H13N3O3/c8-5(10-12)7(6(9)11)1-3-13-4-2-7/h12H,1-4H2,(H2,8,10)(H2,9,11)
InChIKeyUWDYZMUCDJQYBQ-UHFFFAOYSA-N
XLogP-0.99
TPSA110.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N,N-diethyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920640
N-tert-butyl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920747
4-(dimethylaminocarbamoyl)-N'-hydroxyoxane-4-carboximidamide
CID 83023534
4-(N'-hydroxycarbamimidoyl)-N-(1-methylcyclobutyl)oxane-4-carboxamide
CID 113485856
N-(2-acetamidoethyl)-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76920212
4-(N'-hydroxycarbamimidoyl)-N-(oxan-4-ylmethyl)oxane-4-carboxamide
CID 76951306
4-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76920417
N'-hydroxy-1-(morpholine-4-carbonyl)cyclopropane-1-carboximidamide
CID 80590834
N-ethyl-4-(N'-hydroxycarbamimidoyl)-N-propyloxane-4-carboxamide
CID 76920067
4-(3,3-dimethylmorpholine-4-carbonyl)-N'-hydroxyoxane-4-carboximidamide
CID 76921023
4-(N'-hydroxycarbamimidoyl)-N-(2-hydroxy-2-methylpropyl)-N-methyloxane-4-carboxamide
CID 79385785
4-(N'-hydroxycarbamimidoyl)-N-(2-morpholin-4-ylethyl)oxane-4-carboxamide
CID 76920259

Frequently Asked Questions

What is the IUPAC name of 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The IUPAC name of 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide (CID 76920789) is 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The canonical SMILES for 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is NC(=O)C1(C(N)=NO)CCOCC1.
What is the InChIKey of 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
The InChIKey is UWDYZMUCDJQYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c8-5(10-12)7(6(9)11)1-3-13-4-2-7/h12H,1-4H2,(H2,8,10)(H2,9,11).
What are the key properties of 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide?
4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide has a molecular weight of 187.20 g/mol, XLogP of -0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide is sourced from PubChem (CID 76920789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).