hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate

C9H20N2O3 — CID 66339650

IUPAChydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
SMILESCC(C)CC(C)OCCC(=O)ONN
InChIInChI=1S/C9H20N2O3/c1-7(2)6-8(3)13-5-4-9(12)14-11-10/h7-8,11H,4-6,10H2,1-3H3
InChIKeyGJHWNSXILBWLIP-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.75
Rot. Bonds7

About hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate

hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate (PubChem CID 66339650) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate.

Molecular Properties

Compound Namehydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
PubChem CID66339650
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Namehydrazinyl 3-(4-methylpentan-2-yloxy)propanoate
SMILESCC(C)CC(C)OCCC(=O)ONN
InChIInChI=1S/C9H20N2O3/c1-7(2)6-8(3)13-5-4-9(12)14-11-10/h7-8,11H,4-6,10H2,1-3H3
InChIKeyGJHWNSXILBWLIP-UHFFFAOYSA-N
XLogP0.75
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate?
The IUPAC name of hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate (CID 66339650) is hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate.
What is the SMILES notation for hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate?
The canonical SMILES for hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate is CC(C)CC(C)OCCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate?
The InChIKey is GJHWNSXILBWLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-7(2)6-8(3)13-5-4-9(12)14-11-10/h7-8,11H,4-6,10H2,1-3H3.
What are the key properties of hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate?
hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate has a molecular weight of 204.27 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-(4-methylpentan-2-yloxy)propanoate is sourced from PubChem (CID 66339650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).