acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine

C8H18N2O4 — CID 73385704

IUPACacetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine
SMILESCC(=O)O.CCC(=NO)C(C)(C)NO
InChIInChI=1S/C6H14N2O2.C2H4O2/c1-4-5(7-9)6(2,3)8-10;1-2(3)4/h8-10H,4H2,1-3H3;1H3,(H,3,4)
InChIKeyYRZDGYSROXSASL-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.07
Rot. Bonds3

About acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine

acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine (PubChem CID 73385704) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine
PubChem CID73385704
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Nameacetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine
SMILESCC(=O)O.CCC(=NO)C(C)(C)NO
InChIInChI=1S/C6H14N2O2.C2H4O2/c1-4-5(7-9)6(2,3)8-10;1-2(3)4/h8-10H,4H2,1-3H3;1H3,(H,3,4)
InChIKeyYRZDGYSROXSASL-UHFFFAOYSA-N
XLogP1.07
TPSA102.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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'}

Analyze acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate
CID 55250781
acetic acid;N-butan-2-ylidenehydroxylamine
CID 175319893
2-(hydroxyamino)-2-methylpropanamide
CID 523203
acetic acid;N-ethylhydroxylamine
CID 87903463
N-butan-2-ylidenehydroxylamine;carbonic acid
CID 87857804
acetic acid;N-methylidenehydroxylamine
CID 22247177
(5E)-5-hydroxyiminoheptan-3-one
CID 88798482
acetic acid;cobalt;propanoic acid
CID 173406712
butan-2-one;bis(2,2-dimethylpropane)
CID 162008029
acetic acid;azane;propane
CID 173127482
indigane;propanoic acid
CID 173208103
acetic acid;methanesulfonic acid;propanoic acid
CID 87710299

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine?
The IUPAC name of acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine (CID 73385704) is acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine.
What is the SMILES notation for acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine?
The canonical SMILES for acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine is CC(=O)O.CCC(=NO)C(C)(C)NO.
What is the InChIKey of acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine?
The InChIKey is YRZDGYSROXSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2.C2H4O2/c1-4-5(7-9)6(2,3)8-10;1-2(3)4/h8-10H,4H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine?
acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine has a molecular weight of 206.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine is sourced from PubChem (CID 73385704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).