(2S)-1-azido-3-phenylpropan-2-ol

C9H11N3O — CID 101111843

IUPAC(2S)-1-azido-3-phenylpropan-2-ol
SMILES[N-]=[N+]=NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C9H11N3O/c10-12-11-7-9(13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m0/s1
InChIKeyRDZHIJATXQDZPO-VIFPVBQESA-N
MW177.21 g/mol
LogP1.90
Rot. Bonds4

About (2S)-1-azido-3-phenylpropan-2-ol

(2S)-1-azido-3-phenylpropan-2-ol (PubChem CID 101111843) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2S)-1-azido-3-phenylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-azido-3-phenylpropan-2-ol
PubChem CID101111843
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2S)-1-azido-3-phenylpropan-2-ol
SMILES[N-]=[N+]=NC[C@@H](O)Cc1ccccc1
InChIInChI=1S/C9H11N3O/c10-12-11-7-9(13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m0/s1
InChIKeyRDZHIJATXQDZPO-VIFPVBQESA-N
XLogP1.90
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[3-azido-2-(azidomethyl)propyl]benzene
CID 15477707
(3S)-3-amino-4-azido-2-benzylbutanoic acid
CID 142639900
(1-azido-3-phenylpropan-2-yl)selanylbenzene
CID 15094070
1,6-diazido-3,4-bis(phenylmethoxy)hexane-2,5-diol
CID 59824366
1,6-diphenylhexane-2,5-diol
CID 15072586
N-[(2S)-1-azido-3-phenylpropan-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 135040471
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866
3,4-diazidobutylbenzene
CID 151154204
(2S,5R)-6-azido-5-hydroxy-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 23244641
tert-butyl N-(4-azido-3-hydroxy-1-phenylbutan-2-yl)carbamate
CID 59131603
[(4S)-4-(azidomethyl)-2-methyl-5-phenylpentan-2-yl] carbamate
CID 140501805
[(2S)-1-azido-3-phenylpropan-2-yl] N-tert-butylcarbamate
CID 175041010

Frequently Asked Questions

What is the IUPAC name of (2S)-1-azido-3-phenylpropan-2-ol?
The IUPAC name of (2S)-1-azido-3-phenylpropan-2-ol (CID 101111843) is (2S)-1-azido-3-phenylpropan-2-ol.
What is the SMILES notation for (2S)-1-azido-3-phenylpropan-2-ol?
The canonical SMILES for (2S)-1-azido-3-phenylpropan-2-ol is [N-]=[N+]=NC[C@@H](O)Cc1ccccc1.
What is the InChIKey of (2S)-1-azido-3-phenylpropan-2-ol?
The InChIKey is RDZHIJATXQDZPO-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11N3O/c10-12-11-7-9(13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2/t9-/m0/s1.
What are the key properties of (2S)-1-azido-3-phenylpropan-2-ol?
(2S)-1-azido-3-phenylpropan-2-ol has a molecular weight of 177.21 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-azido-3-phenylpropan-2-ol is sourced from PubChem (CID 101111843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).