tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate

C12H23NO4 — CID 81219711

IUPACtert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
SMILESCC1COC(CO)CN1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-9-8-16-10(7-14)5-13(9)6-11(15)17-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyUTLRQNNQUXTTCF-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.41
Rot. Bonds3

About tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate

tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate (PubChem CID 81219711) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
PubChem CID81219711
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate
SMILESCC1COC(CO)CN1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO4/c1-9-8-16-10(7-14)5-13(9)6-11(15)17-12(2,3)4/h9-10,14H,5-8H2,1-4H3
InChIKeyUTLRQNNQUXTTCF-UHFFFAOYSA-N
XLogP0.41
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methoxypropan-2-one
CID 107507511
tert-butyl (2R)-2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]pyrrolidine-1-carboxylate
CID 167960651
tert-butyl 2-[2-(hydroxymethyl)morpholin-4-yl]acetate
CID 79833522
tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
CID 156853972
tert-butyl (2S)-2-(hydroxymethyl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 163209490
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
N-cyclopropyl-N-ethyl-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81219633
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-1-(4-hydroxyphenyl)ethanone
CID 81204106
methyl 3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropanoate
CID 81204311
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate (CID 81219711) is tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate is CC1COC(CO)CN1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate?
The InChIKey is UTLRQNNQUXTTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9-8-16-10(7-14)5-13(9)6-11(15)17-12(2,3)4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate?
tert-butyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetate has a molecular weight of 245.32 g/mol, XLogP of 0.41, 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)-5-methylmorpholin-4-yl]acetate is sourced from PubChem (CID 81219711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).