tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate

C11H21NO4 — CID 130784336

IUPACtert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate
SMILESCCC[C@@H]1C[C@@H](O)ON1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-8-7-9(13)16-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyKCJBABYNUCNJJD-BDAKNGLRSA-N
MW231.29 g/mol
LogP2.05
Rot. Bonds2

About tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate

tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate (PubChem CID 130784336) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate
PubChem CID130784336
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate
SMILESCCC[C@@H]1C[C@@H](O)ON1C(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-5-6-8-7-9(13)16-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyKCJBABYNUCNJJD-BDAKNGLRSA-N
XLogP2.05
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate (CID 130784336) is tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate is CCC[C@@H]1C[C@@H](O)ON1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate?
The InChIKey is KCJBABYNUCNJJD-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO4/c1-5-6-8-7-9(13)16-12(8)10(14)15-11(2,3)4/h8-9,13H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate?
tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-5-hydroxy-3-propyl-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 130784336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).