azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate

C9H9N7O2 — CID 174520180

IUPACazido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate
SMILES[N-]=[N+]=NN[C@@H](Cc1ccccc1)C(=O)ON=[N+]=[N-]
InChIInChI=1S/C9H9N7O2/c10-13-15-12-8(9(17)18-16-14-11)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2/t8-/m0/s1
InChIKeySRJIQUUFULAULB-QMMMGPOBSA-N
MW247.22 g/mol
LogP2.18
Rot. Bonds6

About azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate

azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate (PubChem CID 174520180) has the molecular formula C9H9N7O2 and a molecular weight of 247.22 g/mol. Its IUPAC name is azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate.

Molecular Properties

Compound Nameazido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate
PubChem CID174520180
Molecular FormulaC9H9N7O2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC Nameazido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate
SMILES[N-]=[N+]=NN[C@@H](Cc1ccccc1)C(=O)ON=[N+]=[N-]
InChIInChI=1S/C9H9N7O2/c10-13-15-12-8(9(17)18-16-14-11)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2/t8-/m0/s1
InChIKeySRJIQUUFULAULB-QMMMGPOBSA-N
XLogP2.18
TPSA135.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

azido 2-amino-3-phenylpropanoate
CID 77211424
nitroso (2S)-2-(methylamino)-3-phenylpropanoate;hydrochloride
CID 174857329
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227
(2S)-2-(carbamoyloxyamino)-3-phenylpropanoic acid
CID 87459321
2-(1-azidoethoxyamino)-3-phenylpropanoic acid
CID 155060290
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(3S)-4-[[(1S)-1-carboxy-2-phenylethyl]-prop-2-ynoxyamino]-3-(2-diazohydrazinyl)-4-oxobutanoic acid
CID 87675756
(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
amino 2-hydrazinyl-3-phenylpropanoate
CID 163606408
phenyl 2-azido-3-phenylpropanoate
CID 75291356
propan-2-yl (2S)-2-(methylamino)-3-phenylpropanoate
CID 54240932
methyl 2-methyl-3-phenylpropanoate
CID 11105919

Frequently Asked Questions

What is the IUPAC name of azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate?
The IUPAC name of azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate (CID 174520180) is azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate.
What is the SMILES notation for azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate?
The canonical SMILES for azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate is [N-]=[N+]=NN[C@@H](Cc1ccccc1)C(=O)ON=[N+]=[N-].
What is the InChIKey of azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate?
The InChIKey is SRJIQUUFULAULB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9N7O2/c10-13-15-12-8(9(17)18-16-14-11)6-7-4-2-1-3-5-7/h1-5,8,12H,6H2/t8-/m0/s1.
What are the key properties of azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate?
azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate has a molecular weight of 247.22 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate is sourced from PubChem (CID 174520180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).