(2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate

C19H37NO4 — CID 123803263

IUPAC(2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate
SMILESCC(C)(C)CC(C)(C(=O)OCC(O)CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C19H37NO4/c1-17(2,3)14-19(7,18(4,5)6)16(22)24-13-15(21)12-20-8-10-23-11-9-20/h15,21H,8-14H2,1-7H3
InChIKeyJIPJCFUOIZTPPH-UHFFFAOYSA-N
MW343.51 g/mol
LogP2.71
Rot. Bonds6

About (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate

(2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate (PubChem CID 123803263) has the molecular formula C19H37NO4 and a molecular weight of 343.51 g/mol. Its IUPAC name is (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate.

Molecular Properties

Compound Name(2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate
PubChem CID123803263
Molecular FormulaC19H37NO4
Molecular Weight343.51 g/mol
Exact Mass343.27
IUPAC Name(2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate
SMILESCC(C)(C)CC(C)(C(=O)OCC(O)CN1CCOCC1)C(C)(C)C
InChIInChI=1S/C19H37NO4/c1-17(2,3)14-19(7,18(4,5)6)16(22)24-13-15(21)12-20-8-10-23-11-9-20/h15,21H,8-14H2,1-7H3
InChIKeyJIPJCFUOIZTPPH-UHFFFAOYSA-N
XLogP2.71
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate?
The IUPAC name of (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate (CID 123803263) is (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate.
What is the SMILES notation for (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate?
The canonical SMILES for (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate is CC(C)(C)CC(C)(C(=O)OCC(O)CN1CCOCC1)C(C)(C)C.
What is the InChIKey of (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate?
The InChIKey is JIPJCFUOIZTPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO4/c1-17(2,3)14-19(7,18(4,5)6)16(22)24-13-15(21)12-20-8-10-23-11-9-20/h15,21H,8-14H2,1-7H3.
What are the key properties of (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate?
(2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate has a molecular weight of 343.51 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-morpholin-4-ylpropyl) 2-tert-butyl-2,4,4-trimethylpentanoate is sourced from PubChem (CID 123803263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).