(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine

C15H22N4O2 — CID 112756113

IUPAC(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine
SMILESC[C@](N=[N+]=[N-])(C(=O)O)c1ccccc1.NC1CCCCC1
InChIInChI=1S/C9H9N3O2.C6H13N/c1-9(8(13)14,11-12-10)7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,13,14);6H,1-5,7H2/t9-;/m1./s1
InChIKeyZTGXMUQBMULOTK-SBSPUUFOSA-N
MW290.37 g/mol
LogP3.57
Rot. Bonds3

About (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine

(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine (PubChem CID 112756113) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine.

Molecular Properties

Compound Name(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine
PubChem CID112756113
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine
SMILESC[C@](N=[N+]=[N-])(C(=O)O)c1ccccc1.NC1CCCCC1
InChIInChI=1S/C9H9N3O2.C6H13N/c1-9(8(13)14,11-12-10)7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,13,14);6H,1-5,7H2/t9-;/m1./s1
InChIKeyZTGXMUQBMULOTK-SBSPUUFOSA-N
XLogP3.57
TPSA112.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.57
H-Bond Donors ≤ 52
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine?
The IUPAC name of (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine (CID 112756113) is (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine.
What is the SMILES notation for (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine?
The canonical SMILES for (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine is C[C@](N=[N+]=[N-])(C(=O)O)c1ccccc1.NC1CCCCC1.
What is the InChIKey of (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine?
The InChIKey is ZTGXMUQBMULOTK-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H9N3O2.C6H13N/c1-9(8(13)14,11-12-10)7-5-3-2-4-6-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,13,14);6H,1-5,7H2/t9-;/m1./s1.
What are the key properties of (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine?
(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine has a molecular weight of 290.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine is sourced from PubChem (CID 112756113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).