tert-butyl (2R)-2-hydrazinylbutanoate

C8H18N2O2 — CID 140972061

IUPACtert-butyl (2R)-2-hydrazinylbutanoate
SMILESCC[C@@H](NN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6(10-9)7(11)12-8(2,3)4/h6,10H,5,9H2,1-4H3/t6-/m1/s1
InChIKeyVRWLPELRZKFDJF-ZCFIWIBFSA-N
MW174.24 g/mol
LogP0.57
Rot. Bonds3

About tert-butyl (2R)-2-hydrazinylbutanoate

tert-butyl (2R)-2-hydrazinylbutanoate (PubChem CID 140972061) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydrazinylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydrazinylbutanoate
PubChem CID140972061
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Nametert-butyl (2R)-2-hydrazinylbutanoate
SMILESCC[C@@H](NN)C(=O)OC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-5-6(10-9)7(11)12-8(2,3)4/h6,10H,5,9H2,1-4H3/t6-/m1/s1
InChIKeyVRWLPELRZKFDJF-ZCFIWIBFSA-N
XLogP0.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.57
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

tert-butyl 2-acetamidobutanoate
CID 14390034
tert-butyl (2S)-2-[[(2S)-2-aminobutyl]amino]butanoate
CID 170555643
tert-butyl (2S)-2-(methylamino)pentanoate
CID 143115703
tert-butyl 2-(ethylamino)-3-hydroxypropanoate
CID 146238971
tert-butyl (2R)-2-aminobutanoate
CID 13283520
tert-butyl (2S)-3-hydroxy-2-(methylamino)propanoate
CID 142791609
tert-butyl 2-(ethylamino)-4-methylpentanoate
CID 142936593
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
CID 118703214
tert-butyl 2,3-bis(methylamino)propanoate
CID 87548919
chloro (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 174709718
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydrazinylbutanoate?
The IUPAC name of tert-butyl (2R)-2-hydrazinylbutanoate (CID 140972061) is tert-butyl (2R)-2-hydrazinylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-hydrazinylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-hydrazinylbutanoate is CC[C@@H](NN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-hydrazinylbutanoate?
The InChIKey is VRWLPELRZKFDJF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5-6(10-9)7(11)12-8(2,3)4/h6,10H,5,9H2,1-4H3/t6-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydrazinylbutanoate?
tert-butyl (2R)-2-hydrazinylbutanoate has a molecular weight of 174.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydrazinylbutanoate is sourced from PubChem (CID 140972061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).