hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate

C8H16N4O2 — CID 66337129

IUPAChydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate
SMILESCCN(CCC#N)CCC(=O)ONN
InChIInChI=1S/C8H16N4O2/c1-2-12(6-3-5-9)7-4-8(13)14-11-10/h11H,2-4,6-7,10H2,1H3
InChIKeyWSMFBTRSKFWLNV-UHFFFAOYSA-N
MW200.24 g/mol
LogP-0.47
Rot. Bonds7

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

hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate (PubChem CID 66337129) has the molecular formula C8H16N4O2 and a molecular weight of 200.24 g/mol. Its IUPAC name is hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate.

Molecular Properties

Compound Namehydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate
PubChem CID66337129
Molecular FormulaC8H16N4O2
Molecular Weight200.24 g/mol
Exact Mass200.13
IUPAC Namehydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate
SMILESCCN(CCC#N)CCC(=O)ONN
InChIInChI=1S/C8H16N4O2/c1-2-12(6-3-5-9)7-4-8(13)14-11-10/h11H,2-4,6-7,10H2,1H3
InChIKeyWSMFBTRSKFWLNV-UHFFFAOYSA-N
XLogP-0.47
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
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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Related Compounds

tert-butyl 3-[2-cyanoethyl(ethyl)amino]propanoate
CID 115669561
hydrazinyl 3-[ethyl-[2-(methylamino)-2-oxoethyl]amino]propanoate
CID 66337491
3-[ethyl(3-methylbut-3-enyl)amino]propanenitrile
CID 114449033
methyl 3-[but-3-ynyl(ethyl)amino]propanoate
CID 62027913
methyl 3-[ethyl(pent-3-ynyl)amino]propanoate
CID 104746316
methyl 3-[(4-cyano-4-methylpentyl)-ethylamino]propanoate
CID 65254927
3-[2-acetyloxyethyl(2-cyanoethyl)amino]propanoic acid
CID 140529555
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
hydrazinyl 3-[(2-amino-2-oxoethyl)-(2-methylpropyl)amino]propanoate
CID 66338779
ethyl 3-[(3-ethoxy-3-oxopropyl)-propylamino]propanoate
CID 11368942
hydrazinyl 3-[2-hydroxyethyl(pentan-3-yl)amino]propanoate
CID 66338223
ethyl 2-[2-cyanoethyl(2,2-dimethylpropyl)amino]acetate
CID 56806573

Frequently Asked Questions

What is the IUPAC name of hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate?
The IUPAC name of hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate (CID 66337129) is hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate.
What is the SMILES notation for hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate?
The canonical SMILES for hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate is CCN(CCC#N)CCC(=O)ONN.
What is the InChIKey of hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate?
The InChIKey is WSMFBTRSKFWLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2/c1-2-12(6-3-5-9)7-4-8(13)14-11-10/h11H,2-4,6-7,10H2,1H3.
What are the key properties of hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate?
hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate has a molecular weight of 200.24 g/mol, XLogP of -0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for hydrazinyl 3-[2-cyanoethyl(ethyl)amino]propanoate is sourced from PubChem (CID 66337129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).