tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate

C9H20N2O2 — CID 118703214

IUPACtert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
SMILESC[C@@H](CCNN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(5-6-11-10)8(12)13-9(2,3)4/h7,11H,5-6,10H2,1-4H3/t7-/m0/s1
InChIKeyJMDGRTCHBQSTTP-ZETCQYMHSA-N
MW188.27 g/mol
LogP0.82
Rot. Bonds4

About tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate

tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate (PubChem CID 118703214) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
PubChem CID118703214
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Nametert-butyl (2S)-4-hydrazinyl-2-methylbutanoate
SMILESC[C@@H](CCNN)C(=O)OC(C)(C)C
InChIInChI=1S/C9H20N2O2/c1-7(5-6-11-10)8(12)13-9(2,3)4/h7,11H,5-6,10H2,1-4H3/t7-/m0/s1
InChIKeyJMDGRTCHBQSTTP-ZETCQYMHSA-N
XLogP0.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.82
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'}

Analyze tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-hydrazinyl-2-methylbutanoate;hydrochloride
CID 118703211
tert-butyl 2-methyl-5-(methylamino)pentanoate
CID 174255913
tert-butyl (2R)-4-(benzylamino)-2-methylbutanoate
CID 134965842
tert-butyl 4-(methylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 87440029
tert-butyl 2,4,4-trimethylpentanoate
CID 89244409
tert-butyl (2S)-2-methyl-3-sulfanylpropanoate
CID 22860483
tert-butyl 3-(tert-butylamino)-2-methylpropanoate
CID 46318602
ditert-butyl 2-methyl-5-propylhexanedioate
CID 175603524
tert-butyl 2-methyl-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 12923316
tert-butyl 2-(2-aminoethylamino)propanoate
CID 66338502
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
tert-butyl N-(2-hydrazinylethyl)carbamate;hydrochloride
CID 146082291

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate?
The IUPAC name of tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate (CID 118703214) is tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate.
What is the SMILES notation for tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate?
The canonical SMILES for tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate is C[C@@H](CCNN)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate?
The InChIKey is JMDGRTCHBQSTTP-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(5-6-11-10)8(12)13-9(2,3)4/h7,11H,5-6,10H2,1-4H3/t7-/m0/s1.
What are the key properties of tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate?
tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate has a molecular weight of 188.27 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-4-hydrazinyl-2-methylbutanoate is sourced from PubChem (CID 118703214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).