hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate

C8H18N4O3 — CID 66337491

IUPAChydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)ONN)CC(=O)NC
InChIInChI=1S/C8H18N4O3/c1-3-12(6-7(13)10-2)5-4-8(14)15-11-9/h11H,3-6,9H2,1-2H3,(H,10,13)
InChIKeyKWSBHBQVPLCSCV-UHFFFAOYSA-N
MW218.26 g/mol
LogP-1.63
Rot. Bonds7

About hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate

hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate (PubChem CID 66337491) has the molecular formula C8H18N4O3 and a molecular weight of 218.26 g/mol. Its IUPAC name is hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate
PubChem CID66337491
Molecular FormulaC8H18N4O3
Molecular Weight218.26 g/mol
Exact Mass218.14
IUPAC Namehydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate
SMILESCCN(CCC(=O)ONN)CC(=O)NC
InChIInChI=1S/C8H18N4O3/c1-3-12(6-7(13)10-2)5-4-8(14)15-11-9/h11H,3-6,9H2,1-2H3,(H,10,13)
InChIKeyKWSBHBQVPLCSCV-UHFFFAOYSA-N
XLogP-1.63
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate?
The IUPAC name of hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate (CID 66337491) is hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate.
What is the SMILES notation for hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate?
The canonical SMILES for hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate is CCN(CCC(=O)ONN)CC(=O)NC.
What is the InChIKey of hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate?
The InChIKey is KWSBHBQVPLCSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O3/c1-3-12(6-7(13)10-2)5-4-8(14)15-11-9/h11H,3-6,9H2,1-2H3,(H,10,13).
What are the key properties of hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate?
hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate has a molecular weight of 218.26 g/mol, XLogP of -1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate is sourced from PubChem (CID 66337491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).