3-(4-tert-butylmorpholin-3-yl)propanoic acid

C11H21NO3 — CID 117009398

IUPAC3-(4-tert-butylmorpholin-3-yl)propanoic acid
SMILESCC(C)(C)N1CCOCC1CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,3)12-6-7-15-8-9(12)4-5-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyIYEGZRROAFFBJZ-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds3

About 3-(4-tert-butylmorpholin-3-yl)propanoic acid

3-(4-tert-butylmorpholin-3-yl)propanoic acid (PubChem CID 117009398) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(4-tert-butylmorpholin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-tert-butylmorpholin-3-yl)propanoic acid
PubChem CID117009398
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(4-tert-butylmorpholin-3-yl)propanoic acid
SMILESCC(C)(C)N1CCOCC1CCC(=O)O
InChIInChI=1S/C11H21NO3/c1-11(2,3)12-6-7-15-8-9(12)4-5-10(13)14/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyIYEGZRROAFFBJZ-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylmorpholin-3-yl)propanoic acid?
The IUPAC name of 3-(4-tert-butylmorpholin-3-yl)propanoic acid (CID 117009398) is 3-(4-tert-butylmorpholin-3-yl)propanoic acid.
What is the SMILES notation for 3-(4-tert-butylmorpholin-3-yl)propanoic acid?
The canonical SMILES for 3-(4-tert-butylmorpholin-3-yl)propanoic acid is CC(C)(C)N1CCOCC1CCC(=O)O.
What is the InChIKey of 3-(4-tert-butylmorpholin-3-yl)propanoic acid?
The InChIKey is IYEGZRROAFFBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,3)12-6-7-15-8-9(12)4-5-10(13)14/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 3-(4-tert-butylmorpholin-3-yl)propanoic acid?
3-(4-tert-butylmorpholin-3-yl)propanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylmorpholin-3-yl)propanoic acid is sourced from PubChem (CID 117009398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).