[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate

C19H31NO4 — CID 7336055

IUPAC[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C19H31NO4/c21-17(12-20-1-3-23-4-2-20)13-24-18(22)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-17,21H,1-13H2/t14?,15?,16?,17-,19?/m0/s1
InChIKeyBMBIZCWGIXBYRA-WCWCZOKXSA-N
MW337.46 g/mol
LogP1.83
Rot. Bonds6

About [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate

[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate (PubChem CID 7336055) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate
PubChem CID7336055
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate
SMILESO=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H](O)CN1CCOCC1
InChIInChI=1S/C19H31NO4/c21-17(12-20-1-3-23-4-2-20)13-24-18(22)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-17,21H,1-13H2/t14?,15?,16?,17-,19?/m0/s1
InChIKeyBMBIZCWGIXBYRA-WCWCZOKXSA-N
XLogP1.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate?
The IUPAC name of [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate (CID 7336055) is [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate.
What is the SMILES notation for [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate?
The canonical SMILES for [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate is O=C(CC12CC3CC(CC(C3)C1)C2)OC[C@@H](O)CN1CCOCC1.
What is the InChIKey of [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate?
The InChIKey is BMBIZCWGIXBYRA-WCWCZOKXSA-N. The full InChI is InChI=1S/C19H31NO4/c21-17(12-20-1-3-23-4-2-20)13-24-18(22)11-19-8-14-5-15(9-19)7-16(6-14)10-19/h14-17,21H,1-13H2/t14?,15?,16?,17-,19?/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate?
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate has a molecular weight of 337.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-morpholin-4-ylpropyl] 2-(1-adamantyl)acetate is sourced from PubChem (CID 7336055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).