[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate

C8H16N2O3 — CID 55250781

IUPAC[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate
SMILESCC/C(=N\OC(C)=O)C(C)(C)NO
InChIInChI=1S/C8H16N2O3/c1-5-7(8(3,4)10-12)9-13-6(2)11/h10,12H,5H2,1-4H3/b9-7+
InChIKeyUMEIKEMWIZXANV-VQHVLOKHSA-N
MW188.23 g/mol
LogP1.07
Rot. Bonds4

About [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate

[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate (PubChem CID 55250781) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate.

Molecular Properties

Compound Name[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate
PubChem CID55250781
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate
SMILESCC/C(=N\OC(C)=O)C(C)(C)NO
InChIInChI=1S/C8H16N2O3/c1-5-7(8(3,4)10-12)9-13-6(2)11/h10,12H,5H2,1-4H3/b9-7+
InChIKeyUMEIKEMWIZXANV-VQHVLOKHSA-N
XLogP1.07
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

acetic acid;N-[2-(hydroxyamino)-2-methylpentan-3-ylidene]hydroxylamine
CID 73385704
(1-ethoxypropylideneamino) acetate
CID 157010726
[(E)-3,4-dioxohexan-2-ylideneamino] acetate
CID 88531746
[(3-acetyloxyimino-4-oxohexan-2-ylidene)amino] acetate
CID 173378652
2-(hydroxyamino)-2-methylpropanamide
CID 523203
(4-methylpentan-2-ylideneamino) acetate
CID 59413828
[(Z)-2,2,4-trimethylpentan-3-ylideneamino] acetate
CID 129117712
CID 162314144
CID 162314144
[(Z)-3-oxobutan-2-ylideneamino] acetate
CID 5385838
(butan-2-ylideneamino) carbamate
CID 54343836
[(E)-butan-2-ylideneamino] carbonochloridate
CID 11051834
(E)-N-methoxybutan-2-imine;methyl acetate
CID 91150497

Frequently Asked Questions

What is the IUPAC name of [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate?
The IUPAC name of [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate (CID 55250781) is [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate.
What is the SMILES notation for [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate?
The canonical SMILES for [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate is CC/C(=N\OC(C)=O)C(C)(C)NO.
What is the InChIKey of [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate?
The InChIKey is UMEIKEMWIZXANV-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-5-7(8(3,4)10-12)9-13-6(2)11/h10,12H,5H2,1-4H3/b9-7+.
What are the key properties of [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate?
[(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate has a molecular weight of 188.23 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[2-(hydroxyamino)-2-methylpentan-3-ylidene]amino] acetate is sourced from PubChem (CID 55250781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).