tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate

C7H14N4O2 — CID 21122078

IUPACtert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
SMILESC[C@H](NN=[N+]=[N-])C(=O)OC(C)(C)C
InChIInChI=1S/C7H14N4O2/c1-5(9-11-10-8)6(12)13-7(2,3)4/h5,9H,1-4H3/t5-/m0/s1
InChIKeySQCVPXJGLXYXAA-YFKPBYRVSA-N
MW186.22 g/mol
LogP1.53
Rot. Bonds3

About tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate

tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate (PubChem CID 21122078) has the molecular formula C7H14N4O2 and a molecular weight of 186.22 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
PubChem CID21122078
Molecular FormulaC7H14N4O2
Molecular Weight186.22 g/mol
Exact Mass186.11
IUPAC Nametert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
SMILESC[C@H](NN=[N+]=[N-])C(=O)OC(C)(C)C
InChIInChI=1S/C7H14N4O2/c1-5(9-11-10-8)6(12)13-7(2,3)4/h5,9H,1-4H3/t5-/m0/s1
InChIKeySQCVPXJGLXYXAA-YFKPBYRVSA-N
XLogP1.53
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-diazohydrazinyl)propanoic acid
CID 23623073
tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
CID 10655692
[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamic acid
CID 140986118
tert-butyl 2-(methoxyamino)propanoate
CID 64688772
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
tert-butyl (2R)-2-(2,2-dimethylpropanoylamino)propanoate
CID 81004146
tert-butyl 2-(2-methylpropanoylamino)propanoate
CID 76825480
tert-butyl (2S)-2-(2-methylpropanoylamino)propanoate
CID 58591694
tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride
CID 167697350
tert-butyl 2-[(1-methoxy-2-methylpropan-2-yl)amino]propanoate
CID 115642073
tert-butyl 2-(2-methylpropylamino)propanoate
CID 64688335
tert-butyl 2-(carbamothioylamino)propanoate
CID 141124888

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate?
The IUPAC name of tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate (CID 21122078) is tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate.
What is the SMILES notation for tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate?
The canonical SMILES for tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate is C[C@H](NN=[N+]=[N-])C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate?
The InChIKey is SQCVPXJGLXYXAA-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-5(9-11-10-8)6(12)13-7(2,3)4/h5,9H,1-4H3/t5-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate?
tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate has a molecular weight of 186.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate is sourced from PubChem (CID 21122078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).