ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate

C13H17N3O3 — CID 58706122

IUPACethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate
SMILESCCOC(=O)[C@H](N=[N+]=[N-])[C@H](O)CCc1ccccc1
InChIInChI=1S/C13H17N3O3/c1-2-19-13(18)12(15-16-14)11(17)9-8-10-6-4-3-5-7-10/h3-7,11-12,17H,2,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyGIBBGOLLPVUOGP-VXGBXAGGSA-N
MW263.30 g/mol
LogP2.22
Rot. Bonds7

About ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate

ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate (PubChem CID 58706122) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate
PubChem CID58706122
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Nameethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate
SMILESCCOC(=O)[C@H](N=[N+]=[N-])[C@H](O)CCc1ccccc1
InChIInChI=1S/C13H17N3O3/c1-2-19-13(18)12(15-16-14)11(17)9-8-10-6-4-3-5-7-10/h3-7,11-12,17H,2,8-9H2,1H3/t11-,12-/m1/s1
InChIKeyGIBBGOLLPVUOGP-VXGBXAGGSA-N
XLogP2.22
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

ethyl (2R)-2-hydroxy-4-phenylbutanoate
CID 2733848
ethyl 4-phenyl-2-(propylamino)butanoate
CID 62880935
ethyl (2S,3S,4S)-2-azido-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoate
CID 57433085
ethyl (1-hydroxy-3-phenylpropyl) carbonate
CID 70451495
3-azidobutylbenzene
CID 11805255
ethyl 3-oxo-4-phenyl-2-(2-phenylethyl)butanoate
CID 139793390
butyl 2-amino-3-hydroxy-5-phenylpentanoate
CID 152627714
diethyl 2-(4-phenylbutyl)propanedioate
CID 10661321
ethyl 2-benzyl-3-hydroxyhexanoate
CID 134853996
ethyl 2-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]-4-phenylbutanoate
CID 57110707
butylbenzene;ethyl carbamate
CID 175305774
ethyl 5-(3-azidophenyl)-2-phenylpentanoate
CID 53238119

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate?
The IUPAC name of ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate (CID 58706122) is ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate.
What is the SMILES notation for ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate?
The canonical SMILES for ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate is CCOC(=O)[C@H](N=[N+]=[N-])[C@H](O)CCc1ccccc1.
What is the InChIKey of ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate?
The InChIKey is GIBBGOLLPVUOGP-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-19-13(18)12(15-16-14)11(17)9-8-10-6-4-3-5-7-10/h3-7,11-12,17H,2,8-9H2,1H3/t11-,12-/m1/s1.
What are the key properties of ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate?
ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate has a molecular weight of 263.30 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-2-azido-3-hydroxy-5-phenylpentanoate is sourced from PubChem (CID 58706122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).