azido 2-amino-3-phenylpropanoate

C9H10N4O2 — CID 77211424

IUPACazido 2-amino-3-phenylpropanoate
SMILES[N-]=[N+]=NOC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C9H10N4O2/c10-8(9(14)15-13-12-11)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2
InChIKeyZZSRHHDLXIOIEB-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.32
Rot. Bonds4

About azido 2-amino-3-phenylpropanoate

azido 2-amino-3-phenylpropanoate (PubChem CID 77211424) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is azido 2-amino-3-phenylpropanoate.

Molecular Properties

Compound Nameazido 2-amino-3-phenylpropanoate
PubChem CID77211424
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Nameazido 2-amino-3-phenylpropanoate
SMILES[N-]=[N+]=NOC(=O)C(N)Cc1ccccc1
InChIInChI=1S/C9H10N4O2/c10-8(9(14)15-13-12-11)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2
InChIKeyZZSRHHDLXIOIEB-UHFFFAOYSA-N
XLogP1.32
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.32
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

(diaminomethylideneamino) (2S)-2-amino-3-phenylpropanoate
CID 54398357
azido (2S)-2-(2-diazohydrazinyl)-3-phenylpropanoate
CID 174520180
CID 175525029
CID 175525029
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
3-[(2S)-2-amino-3-phenylpropanoyl]oxypropyl (2S)-2-amino-3-phenylpropanoate
CID 100951987
methyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 174427349
[(2S)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid;[(2R)-2-amino-3-phenylpropanoyl]oxyphosphonamidic acid
CID 175759924
methyl (2S)-2-amino-3-phenylpropanoate;phosphoric acid
CID 67831434
ethyl 2-amino-3-phenylpropanoate;dihydrochloride
CID 141026874
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
2-[2-(2-amino-3-phenylpropanoyl)oxyethoxy]ethyl 2-amino-3-phenylpropanoate
CID 58112359
dichloromethyl (2S)-2-amino-3-phenylpropanoate
CID 174842836

Frequently Asked Questions

What is the IUPAC name of azido 2-amino-3-phenylpropanoate?
The IUPAC name of azido 2-amino-3-phenylpropanoate (CID 77211424) is azido 2-amino-3-phenylpropanoate.
What is the SMILES notation for azido 2-amino-3-phenylpropanoate?
The canonical SMILES for azido 2-amino-3-phenylpropanoate is [N-]=[N+]=NOC(=O)C(N)Cc1ccccc1.
What is the InChIKey of azido 2-amino-3-phenylpropanoate?
The InChIKey is ZZSRHHDLXIOIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-8(9(14)15-13-12-11)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2.
What are the key properties of azido 2-amino-3-phenylpropanoate?
azido 2-amino-3-phenylpropanoate has a molecular weight of 206.21 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azido 2-amino-3-phenylpropanoate is sourced from PubChem (CID 77211424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).