ethane;methyl 2-hydrazinylacetate

C5H14N2O2 — CID 170593077

IUPACethane;methyl 2-hydrazinylacetate
SMILESCC.COC(=O)CNN
InChIInChI=1S/C3H8N2O2.C2H6/c1-7-3(6)2-5-4;1-2/h5H,2,4H2,1H3;1-2H3
InChIKeyJNQOFENMWWBUEA-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.35
Rot. Bonds2

About ethane;methyl 2-hydrazinylacetate

ethane;methyl 2-hydrazinylacetate (PubChem CID 170593077) has the molecular formula C5H14N2O2 and a molecular weight of 134.18 g/mol. Its IUPAC name is ethane;methyl 2-hydrazinylacetate.

Molecular Properties

Compound Nameethane;methyl 2-hydrazinylacetate
PubChem CID170593077
Molecular FormulaC5H14N2O2
Molecular Weight134.18 g/mol
Exact Mass134.11
IUPAC Nameethane;methyl 2-hydrazinylacetate
SMILESCC.COC(=O)CNN
InChIInChI=1S/C3H8N2O2.C2H6/c1-7-3(6)2-5-4;1-2/h5H,2,4H2,1H3;1-2H3
InChIKeyJNQOFENMWWBUEA-UHFFFAOYSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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methyl 2-(methoxycarbonylamino)acetate
CID 14133519
CID 87726616
CID 87726616
methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724
4-O-ethyl 1-O-methyl butanedioate
CID 522068
1,2-dimethoxyethane;methyl 2-(methylamino)acetate
CID 161160255
ethane;3-methoxy-3-oxopropanoic acid
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methyl 2-(2-aminopropylamino)acetate
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Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-hydrazinylacetate?
The IUPAC name of ethane;methyl 2-hydrazinylacetate (CID 170593077) is ethane;methyl 2-hydrazinylacetate.
What is the SMILES notation for ethane;methyl 2-hydrazinylacetate?
The canonical SMILES for ethane;methyl 2-hydrazinylacetate is CC.COC(=O)CNN.
What is the InChIKey of ethane;methyl 2-hydrazinylacetate?
The InChIKey is JNQOFENMWWBUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2O2.C2H6/c1-7-3(6)2-5-4;1-2/h5H,2,4H2,1H3;1-2H3.
What are the key properties of ethane;methyl 2-hydrazinylacetate?
ethane;methyl 2-hydrazinylacetate has a molecular weight of 134.18 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-hydrazinylacetate is sourced from PubChem (CID 170593077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).