(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile

C15H20N2O2 — CID 11780247

IUPAC(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile
SMILESCC(C)[C@H](C#N)N1CC(O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(2)13(8-16)17-9-15(18)19-10-14(17)12-6-4-3-5-7-12/h3-7,11,13-15,18H,9-10H2,1-2H3/t13-,14+,15?/m0/s1
InChIKeyHNEVBHKDNFJGGB-SNTRVMSOSA-N
MW260.34 g/mol
LogP1.93
Rot. Bonds3

About (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile

(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile (PubChem CID 11780247) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile.

Molecular Properties

Compound Name(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile
PubChem CID11780247
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile
SMILESCC(C)[C@H](C#N)N1CC(O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C15H20N2O2/c1-11(2)13(8-16)17-9-15(18)19-10-14(17)12-6-4-3-5-7-12/h3-7,11,13-15,18H,9-10H2,1-2H3/t13-,14+,15?/m0/s1
InChIKeyHNEVBHKDNFJGGB-SNTRVMSOSA-N
XLogP1.93
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile?
The IUPAC name of (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile (CID 11780247) is (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile.
What is the SMILES notation for (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile?
The canonical SMILES for (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile is CC(C)[C@H](C#N)N1CC(O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile?
The InChIKey is HNEVBHKDNFJGGB-SNTRVMSOSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(2)13(8-16)17-9-15(18)19-10-14(17)12-6-4-3-5-7-12/h3-7,11,13-15,18H,9-10H2,1-2H3/t13-,14+,15?/m0/s1.
What are the key properties of (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile?
(2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile has a molecular weight of 260.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5S)-2-hydroxy-5-phenylmorpholin-4-yl]-3-methylbutanenitrile is sourced from PubChem (CID 11780247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).