tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate

C18H27NO5 — CID 124656833

IUPACtert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](CO)O[C@H](COCc2ccccc2)C1
InChIInChI=1S/C18H27NO5/c1-18(2,3)24-17(21)19-9-15(11-20)23-16(10-19)13-22-12-14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3/t15-,16-/m0/s1
InChIKeySDTSUOTTWLJMFI-HOTGVXAUSA-N
MW337.42 g/mol
LogP2.20
Rot. Bonds5

About tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate

tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate (PubChem CID 124656833) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate
PubChem CID124656833
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nametert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](CO)O[C@H](COCc2ccccc2)C1
InChIInChI=1S/C18H27NO5/c1-18(2,3)24-17(21)19-9-15(11-20)23-16(10-19)13-22-12-14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3/t15-,16-/m0/s1
InChIKeySDTSUOTTWLJMFI-HOTGVXAUSA-N
XLogP2.20
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S)-2-(phenylmethoxymethyl)-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 172861521
(2S,6R)-2-(2-hydroxypropan-2-yl)-6-(phenylmethoxymethyl)morpholine-4-carboxylic acid
CID 118306605
tert-butyl (6S)-2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 146664765
tert-butyl 3-(phenylmethoxyamino)azetidine-1-carboxylate
CID 82709692
tert-butyl (2S)-6-hydroxy-2-(phenylmethoxymethyl)-6-(pyridin-2-ylmethyl)-1,4-oxazepane-4-carboxylate
CID 171841230
tert-butyl 3-(4-phenylmethoxybut-1-enyl)azetidine-1-carboxylate
CID 175468053
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate;ethane
CID 90773758
tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
4-O-benzyl 1-O,3-O-ditert-butyl (3R,4R)-pyrrolidine-1,3,4-tricarboxylate
CID 59066098
tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
tert-butyl 3-[(2R)-2-amino-2-phenylmethoxyethyl]azetidine-1-carboxylate
CID 166729062
tert-butyl 4-[2-(phenylmethoxymethyl)cyclopropyl]piperidine-1-carboxylate
CID 58128527

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate (CID 124656833) is tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](CO)O[C@H](COCc2ccccc2)C1.
What is the InChIKey of tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate?
The InChIKey is SDTSUOTTWLJMFI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H27NO5/c1-18(2,3)24-17(21)19-9-15(11-20)23-16(10-19)13-22-12-14-7-5-4-6-8-14/h4-8,15-16,20H,9-13H2,1-3H3/t15-,16-/m0/s1.
What are the key properties of tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate?
tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate has a molecular weight of 337.42 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6S)-2-(hydroxymethyl)-6-(phenylmethoxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 124656833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).