methyl 2-hydrazinyl-3-methylbutanoate

C6H14N2O2 — CID 55279143

IUPACmethyl 2-hydrazinyl-3-methylbutanoate
SMILESCOC(=O)C(NN)C(C)C
InChIInChI=1S/C6H14N2O2/c1-4(2)5(8-7)6(9)10-3/h4-5,8H,7H2,1-3H3
InChIKeyPWWIAMMNZNQJKG-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.35
Rot. Bonds3

About methyl 2-hydrazinyl-3-methylbutanoate

methyl 2-hydrazinyl-3-methylbutanoate (PubChem CID 55279143) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is methyl 2-hydrazinyl-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-hydrazinyl-3-methylbutanoate
PubChem CID55279143
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namemethyl 2-hydrazinyl-3-methylbutanoate
SMILESCOC(=O)C(NN)C(C)C
InChIInChI=1S/C6H14N2O2/c1-4(2)5(8-7)6(9)10-3/h4-5,8H,7H2,1-3H3
InChIKeyPWWIAMMNZNQJKG-UHFFFAOYSA-N
XLogP-0.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
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

methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
methyl (2S)-2-[(1-hydroxy-2-methylpropyl)amino]-3-methylbutanoate
CID 165095500
1-methoxy-3-methyl-1-oxo-2-(sulfinoamino)butane
CID 159607588
methyl (2S)-2-[[(2R,3R)-2,3-dihydroxy-4-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoyl]amino]-3-methylbutanoate
CID 102349924
methyl 3-methyl-2-(propan-2-ylcarbamoylamino)butanoate
CID 4662809
methyl (2S)-2-(dimethylcarbamoylamino)-3-methylbutanoate
CID 124511602
methyl (2S)-3-methyl-2-(propan-2-ylsulfonylamino)butanoate
CID 63821804
methyl 2-(2-bromopropanoylamino)-3-methylbutanoate
CID 82110652
methyl (2S)-2-[[6-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexanoyl]amino]-3-methylbutanoate
CID 177496792
methyl 3-methyl-2-[2-(1-oxo-1-propan-2-yloxypropan-2-yl)hydrazinyl]butanoate
CID 173263875
methyl (2S)-2-(2-adamantylamino)-3-methylbutanoate
CID 43422948
methyl (2S)-2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-3-methylbutanoate
CID 113353339

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydrazinyl-3-methylbutanoate?
The IUPAC name of methyl 2-hydrazinyl-3-methylbutanoate (CID 55279143) is methyl 2-hydrazinyl-3-methylbutanoate.
What is the SMILES notation for methyl 2-hydrazinyl-3-methylbutanoate?
The canonical SMILES for methyl 2-hydrazinyl-3-methylbutanoate is COC(=O)C(NN)C(C)C.
What is the InChIKey of methyl 2-hydrazinyl-3-methylbutanoate?
The InChIKey is PWWIAMMNZNQJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O2/c1-4(2)5(8-7)6(9)10-3/h4-5,8H,7H2,1-3H3.
What are the key properties of methyl 2-hydrazinyl-3-methylbutanoate?
methyl 2-hydrazinyl-3-methylbutanoate has a molecular weight of 146.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydrazinyl-3-methylbutanoate is sourced from PubChem (CID 55279143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).