tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate

C20H38N2O8 — CID 86593644

IUPACtert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](CO)C1.CC(C)(C)OC(=O)N1CCO[C@H](CO)C1
InChIInChI=1S/2C10H19NO4/c2*1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h2*8,12H,4-7H2,1-3H3/t2*8-/m10/s1
InChIKeyNAKOLCFFMMTPKO-RMTNWKGQSA-N
MW434.53 g/mol
LogP1.23
Rot. Bonds2

About tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate (PubChem CID 86593644) has the molecular formula C20H38N2O8 and a molecular weight of 434.53 g/mol. Its IUPAC name is tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
PubChem CID86593644
Molecular FormulaC20H38N2O8
Molecular Weight434.53 g/mol
Exact Mass434.26
IUPAC Nametert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCO[C@@H](CO)C1.CC(C)(C)OC(=O)N1CCO[C@H](CO)C1
InChIInChI=1S/2C10H19NO4/c2*1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h2*8,12H,4-7H2,1-3H3/t2*8-/m10/s1
InChIKeyNAKOLCFFMMTPKO-RMTNWKGQSA-N
XLogP1.23
TPSA118.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.53
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl 3-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 160517937
tert-butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-butyl (2S)-2-(hydroxymethyl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 163209490
tert-butyl 2-(3-amino-3-oxopropyl)morpholine-4-carboxylate
CID 175429162
tert-butyl (2S)-2-(3-methoxy-3-oxopropyl)morpholine-4-carboxylate
CID 172685456
tert-butyl (2S)-2-ethylmorpholine-4-carboxylate;1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
CID 123628570
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
tert-butyl 6,6-difluoro-2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
CID 175205474
tert-butyl 2-[(4-aminopyrazol-1-yl)methyl]morpholine-4-carboxylate
CID 118023184
tert-butyl (2R)-2-[[3-(hydroxymethyl)phenyl]methyl]morpholine-4-carboxylate
CID 67073062
tert-butyl 2-[(2-hydroxyphenyl)methyl]morpholine-4-carboxylate
CID 77221533

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate (CID 86593644) is tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate is CC(C)(C)OC(=O)N1CCO[C@@H](CO)C1.CC(C)(C)OC(=O)N1CCO[C@H](CO)C1.
What is the InChIKey of tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate?
The InChIKey is NAKOLCFFMMTPKO-RMTNWKGQSA-N. The full InChI is InChI=1S/2C10H19NO4/c2*1-10(2,3)15-9(13)11-4-5-14-8(6-11)7-12/h2*8,12H,4-7H2,1-3H3/t2*8-/m10/s1.
What are the key properties of tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate?
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate has a molecular weight of 434.53 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate is sourced from PubChem (CID 86593644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).