tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H26N4O5 — CID 10936794

IUPACtert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](N=[N+]=[N-])[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O5/c1-9(11(17-18-16)12(20)22-7)10-8-23-15(5,6)19(10)13(21)24-14(2,3)4/h9-11H,8H2,1-7H3/t9-,10+,11+/m1/s1
InChIKeyZTJMEDLRFWQJFW-VWYCJHECSA-N
MW342.40 g/mol
LogP2.85
Rot. Bonds4

About tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10936794) has the molecular formula C15H26N4O5 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID10936794
Molecular FormulaC15H26N4O5
Molecular Weight342.40 g/mol
Exact Mass342.19
IUPAC Nametert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)[C@@H](N=[N+]=[N-])[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N4O5/c1-9(11(17-18-16)12(20)22-7)10-8-23-15(5,6)19(10)13(21)24-14(2,3)4/h9-11H,8H2,1-7H3/t9-,10+,11+/m1/s1
InChIKeyZTJMEDLRFWQJFW-VWYCJHECSA-N
XLogP2.85
TPSA113.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 10936794) is tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is COC(=O)[C@@H](N=[N+]=[N-])[C@H](C)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is ZTJMEDLRFWQJFW-VWYCJHECSA-N. The full InChI is InChI=1S/C15H26N4O5/c1-9(11(17-18-16)12(20)22-7)10-8-23-15(5,6)19(10)13(21)24-14(2,3)4/h9-11H,8H2,1-7H3/t9-,10+,11+/m1/s1.
What are the key properties of tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-[(2R,3S)-3-azido-4-methoxy-4-oxobutan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10936794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).