tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate

C17H23NO5 — CID 67373012

IUPACtert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)COC[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(20)18-14(11-22-12-15(18)19)10-21-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyTYOCOCXOOARNTM-AWEZNQCLSA-N
MW321.37 g/mol
LogP2.37
Rot. Bonds4

About tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate

tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate (PubChem CID 67373012) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
PubChem CID67373012
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nametert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)COC[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(20)18-14(11-22-12-15(18)19)10-21-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1
InChIKeyTYOCOCXOOARNTM-AWEZNQCLSA-N
XLogP2.37
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate (CID 67373012) is tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1C(=O)COC[C@@H]1COCc1ccccc1.
What is the InChIKey of tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate?
The InChIKey is TYOCOCXOOARNTM-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23NO5/c1-17(2,3)23-16(20)18-14(11-22-12-15(18)19)10-21-9-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m0/s1.
What are the key properties of tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate?
tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 67373012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).