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

C10H19NO4 — CID 101451292

IUPACtert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC[C@@H]1CCO
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-14-6-8(11)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyAHTHPFVWWLXASO-QMMMGPOBSA-N
MW217.26 g/mol
LogP0.96
Rot. Bonds2

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

tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 101451292) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID101451292
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC[C@@H]1CCO
InChIInChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-14-6-8(11)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyAHTHPFVWWLXASO-QMMMGPOBSA-N
XLogP0.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.96
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-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate (CID 101451292) is tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC[C@@H]1CCO.
What is the InChIKey of tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is AHTHPFVWWLXASO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19NO4/c1-10(2,3)15-9(13)11-7-14-6-8(11)4-5-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-(2-hydroxyethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 101451292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).