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

C17H25NO4 — CID 20648537

IUPACtert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(19)18-9-10-20-12-15(18)13-21-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/t15-/m1/s1
InChIKeyYGLYYEICWVXIDQ-OAHLLOKOSA-N
MW307.39 g/mol
LogP2.84
Rot. Bonds4

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

tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate (PubChem CID 20648537) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
PubChem CID20648537
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCOC[C@@H]1COCc1ccccc1
InChIInChI=1S/C17H25NO4/c1-17(2,3)22-16(19)18-9-10-20-12-15(18)13-21-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/t15-/m1/s1
InChIKeyYGLYYEICWVXIDQ-OAHLLOKOSA-N
XLogP2.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(phenylmethoxymethyl)azetidine-1-carboxylate
CID 22001466
tert-butyl (5S)-3-oxo-5-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 67373012
tert-butyl (2S,4R)-4-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 130998757
tert-butyl 3-(benzamidomethyl)morpholine-4-carboxylate
CID 135183986
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
tert-butyl (3S)-3-ethylmorpholine-4-carboxylate
CID 135215862
tert-butyl (2S,3R)-3-hydroxy-3-methyl-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 58149386
3-[4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-3-yl]propanoic acid
CID 53425042
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
tert-butyl N-[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 67969437
tert-butyl 3-[2-(4-methylphenyl)-2-oxoethyl]morpholine-4-carboxylate
CID 104855099
benzyl (3S)-3-prop-2-ynylmorpholine-4-carboxylate
CID 87302423

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate (CID 20648537) is tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCOC[C@@H]1COCc1ccccc1.
What is the InChIKey of tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate?
The InChIKey is YGLYYEICWVXIDQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H25NO4/c1-17(2,3)22-16(19)18-9-10-20-12-15(18)13-21-11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3/t15-/m1/s1.
What are the key properties of tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate?
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 20648537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).