tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate

C8H15NO4 — CID 7062393

IUPACtert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)CO1
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-4-6(10)5-12-9/h6,10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyVSQPEDPYPBOLOK-LURJTMIESA-N
MW189.21 g/mol
LogP0.53
Rot. Bonds

About tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate

tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate (PubChem CID 7062393) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate
PubChem CID7062393
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Nametert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](O)CO1
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-4-6(10)5-12-9/h6,10H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyVSQPEDPYPBOLOK-LURJTMIESA-N
XLogP0.53
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate (CID 7062393) is tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1C[C@H](O)CO1.
What is the InChIKey of tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate?
The InChIKey is VSQPEDPYPBOLOK-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,3)13-7(11)9-4-6(10)5-12-9/h6,10H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate?
tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate has a molecular weight of 189.21 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-hydroxy-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 7062393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).