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

C11H21NO4 — CID 156853972

IUPACtert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCO[C@@H](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/t9-/m1/s1
InChIKeyOFVZSUNRJBUXRR-SECBINFHSA-N
MW231.29 g/mol
LogP0.02
Rot. Bonds3

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

tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate (PubChem CID 156853972) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
PubChem CID156853972
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCO[C@@H](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/t9-/m1/s1
InChIKeyOFVZSUNRJBUXRR-SECBINFHSA-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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate (CID 156853972) is tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate is CC(C)(C)OC(=O)CN1CCO[C@@H](CO)C1.
What is the InChIKey of tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate?
The InChIKey is OFVZSUNRJBUXRR-SECBINFHSA-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/t9-/m1/s1.
What are the key properties of tert-butyl 2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate?
tert-butyl 2-[(2R)-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-[(2R)-2-(hydroxymethyl)morpholin-4-yl]acetate is sourced from PubChem (CID 156853972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).