tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

C11H20N2O5 — CID 134855632

IUPACtert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(=O)NO)COC1(C)C
InChIInChI=1S/C11H20N2O5/c1-10(2,3)18-9(15)13-7(8(14)12-16)6-17-11(13,4)5/h7,16H,6H2,1-5H3,(H,12,14)/t7-/m0/s1
InChIKeyYKWQHXMBNZWERR-ZETCQYMHSA-N
MW260.29 g/mol
LogP0.86
Rot. Bonds1

About tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 134855632) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID134855632
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Nametert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](C(=O)NO)COC1(C)C
InChIInChI=1S/C11H20N2O5/c1-10(2,3)18-9(15)13-7(8(14)12-16)6-17-11(13,4)5/h7,16H,6H2,1-5H3,(H,12,14)/t7-/m0/s1
InChIKeyYKWQHXMBNZWERR-ZETCQYMHSA-N
XLogP0.86
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'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-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate (CID 134855632) is tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](C(=O)NO)COC1(C)C.
What is the InChIKey of tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is YKWQHXMBNZWERR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-10(2,3)18-9(15)13-7(8(14)12-16)6-17-11(13,4)5/h7,16H,6H2,1-5H3,(H,12,14)/t7-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(hydroxycarbamoyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 134855632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).