[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate

C20H30N2O6 — CID 174666378

IUPAC[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](COCc1ccccc1)C(=O)N1CCOCC1CO
InChIInChI=1S/C20H30N2O6/c1-20(2,3)21-19(25)28-17(14-27-12-15-7-5-4-6-8-15)18(24)22-9-10-26-13-16(22)11-23/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,25)/t16?,17-/m1/s1
InChIKeyHSEUULMHFKXFBC-ZYMOGRSISA-N
MW394.47 g/mol
LogP1.32
Rot. Bonds7

About [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate

[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate (PubChem CID 174666378) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
PubChem CID174666378
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Name[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@H](COCc1ccccc1)C(=O)N1CCOCC1CO
InChIInChI=1S/C20H30N2O6/c1-20(2,3)21-19(25)28-17(14-27-12-15-7-5-4-6-8-15)18(24)22-9-10-26-13-16(22)11-23/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,25)/t16?,17-/m1/s1
InChIKeyHSEUULMHFKXFBC-ZYMOGRSISA-N
XLogP1.32
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 67969437
(3S)-3-(hydroxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)morpholine-4-carboxamide
CID 122154833
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
[(2S)-1-(2-aminoanilino)-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175480757
tert-butyl (3S)-3-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 20648537
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
benzyl (3R)-3-(aminomethyl)morpholine-4-carboxylate
CID 91666877
methyl (2R)-2-morpholin-4-yl-3-phenylmethoxypropanoate
CID 140841569
[1-(5-fluoro-2,3-dihydroindol-1-yl)-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175245404
tert-butyl N-[(2S)-1-[(2S)-2-acetylpyrrolidin-1-yl]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate
CID 142698252
(2-morpholin-4-yl-2-oxoethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 23519193
(2S)-2-(dimethylamino)-1-[(3S)-3-ethylmorpholin-4-yl]-3-phenylpropan-1-one
CID 70780262

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
The IUPAC name of [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate (CID 174666378) is [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate.
What is the SMILES notation for [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
The canonical SMILES for [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@H](COCc1ccccc1)C(=O)N1CCOCC1CO.
What is the InChIKey of [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
The InChIKey is HSEUULMHFKXFBC-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H30N2O6/c1-20(2,3)21-19(25)28-17(14-27-12-15-7-5-4-6-8-15)18(24)22-9-10-26-13-16(22)11-23/h4-8,16-17,23H,9-14H2,1-3H3,(H,21,25)/t16?,17-/m1/s1.
What are the key properties of [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate?
[(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate has a molecular weight of 394.47 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[3-(hydroxymethyl)morpholin-4-yl]-1-oxo-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174666378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).