tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate

C15H29N3O7 — CID 89263192

IUPACtert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate
SMILESCCO[C@H](OC(CO)[C@@H](O)COCC(=O)OC(C)(C)C)C(C)N=[N+]=[N-]
InChIInChI=1S/C15H29N3O7/c1-6-23-14(10(2)17-18-16)24-12(7-19)11(20)8-22-9-13(21)25-15(3,4)5/h10-12,14,19-20H,6-9H2,1-5H3/t10?,11-,12?,14+/m0/s1
InChIKeyCESNZBLFGMTCRV-BOLFBJMRSA-N
MW363.41 g/mol
LogP1.14
Rot. Bonds12

About tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate

tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate (PubChem CID 89263192) has the molecular formula C15H29N3O7 and a molecular weight of 363.41 g/mol. Its IUPAC name is tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate
PubChem CID89263192
Molecular FormulaC15H29N3O7
Molecular Weight363.41 g/mol
Exact Mass363.20
IUPAC Nametert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate
SMILESCCO[C@H](OC(CO)[C@@H](O)COCC(=O)OC(C)(C)C)C(C)N=[N+]=[N-]
InChIInChI=1S/C15H29N3O7/c1-6-23-14(10(2)17-18-16)24-12(7-19)11(20)8-22-9-13(21)25-15(3,4)5/h10-12,14,19-20H,6-9H2,1-5H3/t10?,11-,12?,14+/m0/s1
InChIKeyCESNZBLFGMTCRV-BOLFBJMRSA-N
XLogP1.14
TPSA143.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
CID 10655692
3-azido-1,1-diethoxybutan-2-ol
CID 14604202
benzene;tert-butyl 2-ethoxyacetate
CID 174357524
tert-butyl 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 170910731
tert-butyl 2-(3-hydroxybutoxy)acetate
CID 175472725
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
(2S,3R)-2-azido-4,4-diethoxybutane-1,3-diol
CID 10976957
tert-butyl 3-oxo-4-propan-2-yloxybutanoate
CID 57444543
ethyl (2R,3R)-3-azido-2-hydroxybutanoate
CID 10866810
tert-butyl 2-[2-[2-[2-(6-azidohexoxy)ethoxy]ethoxy]ethoxy]acetate
CID 135390378
sodium;(2S)-2-azido-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid;azide
CID 157049531
tert-butyl 3,3-diethoxypropanoate
CID 13066056

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate?
The IUPAC name of tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate (CID 89263192) is tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate.
What is the SMILES notation for tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate?
The canonical SMILES for tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate is CCO[C@H](OC(CO)[C@@H](O)COCC(=O)OC(C)(C)C)C(C)N=[N+]=[N-].
What is the InChIKey of tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate?
The InChIKey is CESNZBLFGMTCRV-BOLFBJMRSA-N. The full InChI is InChI=1S/C15H29N3O7/c1-6-23-14(10(2)17-18-16)24-12(7-19)11(20)8-22-9-13(21)25-15(3,4)5/h10-12,14,19-20H,6-9H2,1-5H3/t10?,11-,12?,14+/m0/s1.
What are the key properties of tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate?
tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate has a molecular weight of 363.41 g/mol, XLogP of 1.14, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2S)-3-[(1R)-2-azido-1-ethoxypropoxy]-2,4-dihydroxybutoxy]acetate is sourced from PubChem (CID 89263192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).