ethyl 2-methylpropanoate;2-methylpropanehydrazide

C10H22N2O3 — CID 159155209

IUPACethyl 2-methylpropanoate;2-methylpropanehydrazide
SMILESCC(C)C(=O)NN.CCOC(=O)C(C)C
InChIInChI=1S/C6H12O2.C4H10N2O/c1-4-8-6(7)5(2)3;1-3(2)4(7)6-5/h5H,4H2,1-3H3;3H,5H2,1-2H3,(H,6,7)
InChIKeyKJUNKVCYZDFEBR-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.84
Rot. Bonds3

About ethyl 2-methylpropanoate;2-methylpropanehydrazide

ethyl 2-methylpropanoate;2-methylpropanehydrazide (PubChem CID 159155209) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is ethyl 2-methylpropanoate;2-methylpropanehydrazide.

Molecular Properties

Compound Nameethyl 2-methylpropanoate;2-methylpropanehydrazide
PubChem CID159155209
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Nameethyl 2-methylpropanoate;2-methylpropanehydrazide
SMILESCC(C)C(=O)NN.CCOC(=O)C(C)C
InChIInChI=1S/C6H12O2.C4H10N2O/c1-4-8-6(7)5(2)3;1-3(2)4(7)6-5/h5H,4H2,1-3H3;3H,5H2,1-2H3,(H,6,7)
InChIKeyKJUNKVCYZDFEBR-UHFFFAOYSA-N
XLogP0.84
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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CID 157438192
2-methylpropanehydrazide;O-(2-methylpropyl)hydroxylamine
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N-ethoxy-2-methylpropanamide
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(3-ethoxy-3-oxopropyl) 2-methylpropanoate
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ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
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2-butan-2-ylpropanedihydrazide
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2-methylpentanehydrazide
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diethyl 2,3-bis(propan-2-ylamino)butanedioate
CID 101067349
diethyl (2S)-2-(2-methylpropanoylamino)butanedioate
CID 59038083
N-(2-hydroxyethyl)-2-methylpropanamide;propyl 2-methylpropanoate
CID 158222142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methylpropanoate;2-methylpropanehydrazide?
The IUPAC name of ethyl 2-methylpropanoate;2-methylpropanehydrazide (CID 159155209) is ethyl 2-methylpropanoate;2-methylpropanehydrazide.
What is the SMILES notation for ethyl 2-methylpropanoate;2-methylpropanehydrazide?
The canonical SMILES for ethyl 2-methylpropanoate;2-methylpropanehydrazide is CC(C)C(=O)NN.CCOC(=O)C(C)C.
What is the InChIKey of ethyl 2-methylpropanoate;2-methylpropanehydrazide?
The InChIKey is KJUNKVCYZDFEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C4H10N2O/c1-4-8-6(7)5(2)3;1-3(2)4(7)6-5/h5H,4H2,1-3H3;3H,5H2,1-2H3,(H,6,7).
What are the key properties of ethyl 2-methylpropanoate;2-methylpropanehydrazide?
ethyl 2-methylpropanoate;2-methylpropanehydrazide has a molecular weight of 218.30 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methylpropanoate;2-methylpropanehydrazide is sourced from PubChem (CID 159155209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).