tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate

C11H21NO4 — CID 79833522

IUPACtert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)7-12-4-5-15-9(6-12)8-13/h9,13H,4-8H2,1-3H3
InChIKeyOFVZSUNRJBUXRR-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds3

About tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate

tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate (PubChem CID 79833522) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
PubChem CID79833522
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCOC(CO)C1
InChIInChI=1S/C11H21NO4/c1-11(2,3)16-10(14)7-12-4-5-15-9(6-12)8-13/h9,13H,4-8H2,1-3H3
InChIKeyOFVZSUNRJBUXRR-UHFFFAOYSA-N
XLogP0.02
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
CID 156853972
tert-butyl (2S)-2-(hydroxymethyl)morpholine-4-carboxylate;tert-butyl (2R)-2-(hydroxymethyl)morpholine-4-carboxylate
CID 86593644
methyl N-[2-[2-(hydroxymethyl)morpholin-4-yl]acetyl]carbamate
CID 79833806
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
CID 81219711
tert-butyl 2-[7,13,16-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,10-dioxa-4,7,13,16-tetrazacyclooctadec-4-yl]acetate;ethane
CID 156838383
tert-butyl 2-[(4-ethylmorpholin-2-yl)methylamino]acetate
CID 113235636
2-[2-(hydroxymethyl)morpholin-4-yl]-1-pyrrolidin-1-ylethanone
CID 79840662
1-(azetidin-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79832857
N-cyclopropyl-2-[2-(hydroxymethyl)morpholin-4-yl]-N-methylacetamide
CID 79833048
N-(2-cyano-3-methylbutan-2-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 79833896
1-(azepan-1-yl)-2-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 79833113
tert-butyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)acetate
CID 115314315

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate (CID 79833522) is tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate is CC(C)(C)OC(=O)CN1CCOC(CO)C1.
What is the InChIKey of tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate?
The InChIKey is OFVZSUNRJBUXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-11(2,3)16-10(14)7-12-4-5-15-9(6-12)8-13/h9,13H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate?
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate has a molecular weight of 231.29 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate is sourced from PubChem (CID 79833522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).