(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one

C10H11N3O2 — CID 10262355

IUPAC(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
SMILESC[C@@H](O)[C@H](N=[N+]=[N-])C(=O)c1ccccc1
InChIInChI=1S/C10H11N3O2/c1-7(14)9(12-13-11)10(15)8-5-3-2-4-6-8/h2-7,9,14H,1H3/t7-,9+/m1/s1
InChIKeyFBOCWXOZMACBSB-APPZFPTMSA-N
MW205.22 g/mol
LogP1.93
Rot. Bonds4

About (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one

(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one (PubChem CID 10262355) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
PubChem CID10262355
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one
SMILESC[C@@H](O)[C@H](N=[N+]=[N-])C(=O)c1ccccc1
InChIInChI=1S/C10H11N3O2/c1-7(14)9(12-13-11)10(15)8-5-3-2-4-6-8/h2-7,9,14H,1H3/t7-,9+/m1/s1
InChIKeyFBOCWXOZMACBSB-APPZFPTMSA-N
XLogP1.93
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.93
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-azido-3-hydroxy-1,3-diphenylpropan-1-one
CID 10445684
2-azido-1-(4-fluorophenyl)propan-1-one
CID 15889768
2-azido-1-(4-methylphenyl)propan-1-one
CID 11458162
N-(1-azido-2-oxo-2-phenylethyl)-N-methylmethanesulfonamide
CID 162412886
methyl (2S,3R)-2-azido-3-hydroxy-3-phenylpropanoate
CID 15138856
(2S,3S)-2-hydroxy-3-methyl-1,5-diphenylpentane-1,5-dione
CID 10802844
butane-2,3-diol;diphenylmethanone
CID 175235923
3-[azido(phenyl)methyl]benzoic acid
CID 71093139
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
(2R,3R)-2-hydroxy-3-methyl-1-phenylpentan-1-one
CID 129384215
2-azido-N-benzylpropanamide
CID 73205195
(2R,3R)-2,3-dihydroxy-4-methyl-1-phenylpentan-1-one
CID 134995688

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one?
The IUPAC name of (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one (CID 10262355) is (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one.
What is the SMILES notation for (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one?
The canonical SMILES for (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one is C[C@@H](O)[C@H](N=[N+]=[N-])C(=O)c1ccccc1.
What is the InChIKey of (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one?
The InChIKey is FBOCWXOZMACBSB-APPZFPTMSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-7(14)9(12-13-11)10(15)8-5-3-2-4-6-8/h2-7,9,14H,1H3/t7-,9+/m1/s1.
What are the key properties of (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one?
(2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one has a molecular weight of 205.22 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-azido-3-hydroxy-1-phenylbutan-1-one is sourced from PubChem (CID 10262355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).