hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate

C9H20N2O4 — CID 112590265

IUPAChydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
SMILESCC(C)(C)OCCOCCC(=O)ONN
InChIInChI=1S/C9H20N2O4/c1-9(2,3)14-7-6-13-5-4-8(12)15-11-10/h11H,4-7,10H2,1-3H3
InChIKeyPKDILEKVTFZVPM-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.13
Rot. Bonds7

About hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate

hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate (PubChem CID 112590265) has the molecular formula C9H20N2O4 and a molecular weight of 220.27 g/mol. Its IUPAC name is hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
PubChem CID112590265
Molecular FormulaC9H20N2O4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Namehydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate
SMILESCC(C)(C)OCCOCCC(=O)ONN
InChIInChI=1S/C9H20N2O4/c1-9(2,3)14-7-6-13-5-4-8(12)15-11-10/h11H,4-7,10H2,1-3H3
InChIKeyPKDILEKVTFZVPM-UHFFFAOYSA-N
XLogP0.13
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

hydrazinyl 3-(2-ethoxyethoxy)propanoate
CID 66338748
hydrazinyl 3-(2-propan-2-yloxyethoxy)propanoate
CID 66339470
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
tert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 18374585
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 162642491
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 170917699
2-methyl-2-(methylamino)-4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butanamide
CID 112589029
2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86084927
2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methylpropane
CID 134553507
2-amino-2-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanamide
CID 112589177
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate?
The IUPAC name of hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate (CID 112590265) is hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate.
What is the SMILES notation for hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate?
The canonical SMILES for hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate is CC(C)(C)OCCOCCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate?
The InChIKey is PKDILEKVTFZVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4/c1-9(2,3)14-7-6-13-5-4-8(12)15-11-10/h11H,4-7,10H2,1-3H3.
What are the key properties of hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate?
hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate has a molecular weight of 220.27 g/mol, XLogP of 0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propanoate is sourced from PubChem (CID 112590265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).