(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one

C10H10N2O2 — CID 102513589

IUPAC(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one
SMILES[N-]=[N+]=CC(=O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c11-12-7-10(14)9(13)6-8-4-2-1-3-5-8/h1-5,7,9,13H,6H2/t9-/m0/s1
InChIKeyQDBQMABWNKYTOX-VIFPVBQESA-N
MW190.20 g/mol
LogP0.46
Rot. Bonds4

About (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one

(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one (PubChem CID 102513589) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one.

Molecular Properties

Compound Name(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one
PubChem CID102513589
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one
SMILES[N-]=[N+]=CC(=O)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c11-12-7-10(14)9(13)6-8-4-2-1-3-5-8/h1-5,7,9,13H,6H2/t9-/m0/s1
InChIKeyQDBQMABWNKYTOX-VIFPVBQESA-N
XLogP0.46
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]acetamide
CID 101201806
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
(2S)-2-hydroxy-3-phenylpropanethioic S-acid
CID 21114760
[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]carbamoyl benzoate
CID 101377592
2-hydroxy-N,N-dimethyl-3-phenylpropanamide
CID 18771503
(3S,4S)-1-diazo-4-methyl-3-phenylmethoxyhexan-2-one
CID 102020012
benzyl N-[(2R)-1-[[(2S)-4-diazo-3-oxo-1-phenylbutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 32952649
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
benzyl N-[(2S)-2-amino-3-phenylpropanoyl]-N-[(2S)-4-diazo-3-oxobutan-2-yl]carbamate
CID 90704407
(E,4R)-4-hydroxy-5-(4-hydroxyphenyl)-1-phenylpent-1-en-3-one
CID 163942767
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744

Frequently Asked Questions

What is the IUPAC name of (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one?
The IUPAC name of (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one (CID 102513589) is (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one.
What is the SMILES notation for (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one?
The canonical SMILES for (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one is [N-]=[N+]=CC(=O)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one?
The InChIKey is QDBQMABWNKYTOX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10N2O2/c11-12-7-10(14)9(13)6-8-4-2-1-3-5-8/h1-5,7,9,13H,6H2/t9-/m0/s1.
What are the key properties of (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one?
(3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one has a molecular weight of 190.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-diazo-3-hydroxy-4-phenylbutan-2-one is sourced from PubChem (CID 102513589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).