(3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one

C21H25FN2O2 — CID 10183667

IUPAC(3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCOC[C@H]1Cc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c22-20-9-5-4-8-17(20)13-18(23)14-21(25)24-10-11-26-15-19(24)12-16-6-2-1-3-7-16/h1-9,18-19H,10-15,23H2/t18-,19-/m1/s1
InChIKeyZLDNEIMAZFUGLT-RTBURBONSA-N
MW356.44 g/mol
LogP2.56
Rot. Bonds6

About (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one

(3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one (PubChem CID 10183667) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name(3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one
PubChem CID10183667
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name(3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one
SMILESN[C@@H](CC(=O)N1CCOC[C@H]1Cc1ccccc1)Cc1ccccc1F
InChIInChI=1S/C21H25FN2O2/c22-20-9-5-4-8-17(20)13-18(23)14-21(25)24-10-11-26-15-19(24)12-16-6-2-1-3-7-16/h1-9,18-19H,10-15,23H2/t18-,19-/m1/s1
InChIKeyZLDNEIMAZFUGLT-RTBURBONSA-N
XLogP2.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one?
The IUPAC name of (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one (CID 10183667) is (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one.
What is the SMILES notation for (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one?
The canonical SMILES for (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one is N[C@@H](CC(=O)N1CCOC[C@H]1Cc1ccccc1)Cc1ccccc1F.
What is the InChIKey of (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one?
The InChIKey is ZLDNEIMAZFUGLT-RTBURBONSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-20-9-5-4-8-17(20)13-18(23)14-21(25)24-10-11-26-15-19(24)12-16-6-2-1-3-7-16/h1-9,18-19H,10-15,23H2/t18-,19-/m1/s1.
What are the key properties of (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one?
(3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one has a molecular weight of 356.44 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-1-[(3R)-3-benzylmorpholin-4-yl]-4-(2-fluorophenyl)butan-1-one is sourced from PubChem (CID 10183667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).