tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C15H23NO5 — CID 134846636

IUPACtert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC#C[C@@H](OC(C)=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO5/c1-8-12(20-10(2)17)11-9-19-15(6,7)16(11)13(18)21-14(3,4)5/h1,11-12H,9H2,2-7H3/t11-,12+/m0/s1
InChIKeyVVBZRAFQQZDJOX-NWDGAFQWSA-N
MW297.35 g/mol
LogP1.92
Rot. Bonds2

About tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134846636) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134846636
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Nametert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESC#C[C@@H](OC(C)=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO5/c1-8-12(20-10(2)17)11-9-19-15(6,7)16(11)13(18)21-14(3,4)5/h1,11-12H,9H2,2-7H3/t11-,12+/m0/s1
InChIKeyVVBZRAFQQZDJOX-NWDGAFQWSA-N
XLogP1.92
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134846636) is tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is C#C[C@@H](OC(C)=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is VVBZRAFQQZDJOX-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H23NO5/c1-8-12(20-10(2)17)11-9-19-15(6,7)16(11)13(18)21-14(3,4)5/h1,11-12H,9H2,2-7H3/t11-,12+/m0/s1.
What are the key properties of tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[(1R)-1-acetyloxyprop-2-ynyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134846636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).