(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide

C11H15FN2O — CID 79025044

IUPAC(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-6-8(12)5-4-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyGACCNXKNAKMZMD-VIFPVBQESA-N
MW210.25 g/mol
LogP1.81
Rot. Bonds3

About (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide

(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide (PubChem CID 79025044) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
PubChem CID79025044
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(F)ccc1C
InChIInChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-6-8(12)5-4-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyGACCNXKNAKMZMD-VIFPVBQESA-N
XLogP1.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(4-fluoro-2-methylphenyl)butanamide
CID 43649448
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
2-amino-N-(2,4-difluorophenyl)butanamide
CID 43649437
2-(2-aminobutanoylamino)-4-fluorobenzoic acid
CID 61156854
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 61149301
2-amino-N-(5-fluoro-2-methylphenyl)-4-methylsulfanylbutanamide
CID 76892783
(2S)-2-amino-N-[5-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119856697
3-chloro-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 62729006
(2S)-2-amino-N-[2-methyl-5-(propanoylamino)phenyl]butanamide
CID 79025428
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
N-(5-fluoro-2-methylphenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76926207
(2S)-N-(3-acetamido-4-methylphenyl)-2-aminobutanamide
CID 79024532

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide (CID 79025044) is (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide is CC[C@H](N)C(=O)Nc1cc(F)ccc1C.
What is the InChIKey of (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide?
The InChIKey is GACCNXKNAKMZMD-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15FN2O/c1-3-9(13)11(15)14-10-6-8(12)5-4-7(10)2/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide?
(2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide has a molecular weight of 210.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(5-fluoro-2-methylphenyl)butanamide is sourced from PubChem (CID 79025044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).