N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid

C9H18N2O6 — CID 174826325

IUPACN'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid
SMILESC=CC(=O)O.COC.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C3H4O2.C2H6O/c5-3(7)1-2-4(8)6-9;1-2-3(4)5;1-3-2/h9H,1-2H2,(H2,5,7)(H,6,8);2H,1H2,(H,4,5);1-2H3
InChIKeyXDXCOIKDASKOLQ-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.72
Rot. Bonds4

About N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid

N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid (PubChem CID 174826325) has the molecular formula C9H18N2O6 and a molecular weight of 250.25 g/mol. Its IUPAC name is N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid.

Molecular Properties

Compound NameN'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid
PubChem CID174826325
Molecular FormulaC9H18N2O6
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC NameN'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid
SMILESC=CC(=O)O.COC.NC(=O)CCC(=O)NO
InChIInChI=1S/C4H8N2O3.C3H4O2.C2H6O/c5-3(7)1-2-4(8)6-9;1-2-3(4)5;1-3-2/h9H,1-2H2,(H2,5,7)(H,6,8);2H,1H2,(H,4,5);1-2H3
InChIKeyXDXCOIKDASKOLQ-UHFFFAOYSA-N
XLogP-0.72
TPSA138.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid?
The IUPAC name of N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid (CID 174826325) is N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid.
What is the SMILES notation for N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid?
The canonical SMILES for N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid is C=CC(=O)O.COC.NC(=O)CCC(=O)NO.
What is the InChIKey of N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid?
The InChIKey is XDXCOIKDASKOLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3.C3H4O2.C2H6O/c5-3(7)1-2-4(8)6-9;1-2-3(4)5;1-3-2/h9H,1-2H2,(H2,5,7)(H,6,8);2H,1H2,(H,4,5);1-2H3.
What are the key properties of N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid?
N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid has a molecular weight of 250.25 g/mol, XLogP of -0.72, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxybutanediamide;methoxymethane;prop-2-enoic acid is sourced from PubChem (CID 174826325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).