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

C10H13N3O2 — CID 10632133

IUPAC(2S)-2-azido-3-phenylmethoxypropan-1-ol
SMILES[N-]=[N+]=N[C@@H](CO)COCc1ccccc1
InChIInChI=1S/C10H13N3O2/c11-13-12-10(6-14)8-15-7-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2/t10-/m0/s1
InChIKeyNZTJTVIWKSTTSE-JTQLQIEISA-N
MW207.23 g/mol
LogP1.87
Rot. Bonds6

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

(2S)-2-azido-3-phenylmethoxypropan-1-ol (PubChem CID 10632133) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2S)-2-azido-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-azido-3-phenylmethoxypropan-1-ol
PubChem CID10632133
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(2S)-2-azido-3-phenylmethoxypropan-1-ol
SMILES[N-]=[N+]=N[C@@H](CO)COCc1ccccc1
InChIInChI=1S/C10H13N3O2/c11-13-12-10(6-14)8-15-7-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2/t10-/m0/s1
InChIKeyNZTJTVIWKSTTSE-JTQLQIEISA-N
XLogP1.87
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.87
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,4S,5R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 102034824
(E)-3-azido-5-phenyl-1-phenylmethoxypent-4-en-2-ol
CID 102162487
CID 172760983
CID 172760983
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2R)-2-azido-3-[(1R,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-4,5,6-tris(phenylmethoxy)-3-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexyl]oxypropan-1-ol
CID 11423426
4-[4-(2-azido-3-phenylmethoxypropoxy)phenyl]thiadiazole
CID 123292867
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
2-phenylmethoxyethane-1,1-diol
CID 59866645
[(2R,3R)-2-azido-1-phenylmethoxyhexan-3-yl] acetate
CID 10108329
azidomethoxymethylbenzene
CID 11171149
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
(2S,3S)-3-azido-5,5-bis(phenylmethoxy)pentane-1,2-diol
CID 11111085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-azido-3-phenylmethoxypropan-1-ol?
The IUPAC name of (2S)-2-azido-3-phenylmethoxypropan-1-ol (CID 10632133) is (2S)-2-azido-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2S)-2-azido-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (2S)-2-azido-3-phenylmethoxypropan-1-ol is [N-]=[N+]=N[C@@H](CO)COCc1ccccc1.
What is the InChIKey of (2S)-2-azido-3-phenylmethoxypropan-1-ol?
The InChIKey is NZTJTVIWKSTTSE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13N3O2/c11-13-12-10(6-14)8-15-7-9-4-2-1-3-5-9/h1-5,10,14H,6-8H2/t10-/m0/s1.
What are the key properties of (2S)-2-azido-3-phenylmethoxypropan-1-ol?
(2S)-2-azido-3-phenylmethoxypropan-1-ol has a molecular weight of 207.23 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-azido-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 10632133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).