(2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide

C13H19FN2O2 — CID 10634687

IUPAC(2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide
SMILESCN[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)O
InChIInChI=1S/C13H19FN2O2/c1-9(17)8-16-13(18)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyUESMBQQEFQSEHF-BXKDBHETSA-N
MW254.31 g/mol
LogP0.45
Rot. Bonds6

About (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide

(2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide (PubChem CID 10634687) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide
PubChem CID10634687
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name(2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide
SMILESCN[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)O
InChIInChI=1S/C13H19FN2O2/c1-9(17)8-16-13(18)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyUESMBQQEFQSEHF-BXKDBHETSA-N
XLogP0.45
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide?
The IUPAC name of (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide (CID 10634687) is (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide?
The canonical SMILES for (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide is CN[C@H](Cc1ccc(F)cc1)C(=O)NC[C@@H](C)O.
What is the InChIKey of (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide?
The InChIKey is UESMBQQEFQSEHF-BXKDBHETSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9(17)8-16-13(18)12(15-2)7-10-3-5-11(14)6-4-10/h3-6,9,12,15,17H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1.
What are the key properties of (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide?
(2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide has a molecular weight of 254.31 g/mol, XLogP of 0.45, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-fluorophenyl)-N-[(2R)-2-hydroxypropyl]-2-(methylamino)propanamide is sourced from PubChem (CID 10634687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).