tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C13H24N2O5 — CID 14961355

IUPACtert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCON(C)C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-12(2,3)20-11(17)15-9(8-19-13(15,4)5)10(16)14(6)18-7/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyUSINQMZZDNKSQW-VIFPVBQESA-N
MW288.34 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 14961355) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID14961355
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Nametert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCON(C)C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O5/c1-12(2,3)20-11(17)15-9(8-19-13(15,4)5)10(16)14(6)18-7/h9H,8H2,1-7H3/t9-/m0/s1
InChIKeyUSINQMZZDNKSQW-VIFPVBQESA-N
XLogP1.38
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 14961355) is tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CON(C)C(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is USINQMZZDNKSQW-VIFPVBQESA-N. The full InChI is InChI=1S/C13H24N2O5/c1-12(2,3)20-11(17)15-9(8-19-13(15,4)5)10(16)14(6)18-7/h9H,8H2,1-7H3/t9-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 1.38, 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-[methoxy(methyl)carbamoyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 14961355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).