2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide

C13H17FN2O2 — CID 59684100

IUPAC2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)CF
InChIInChI=1S/C13H17FN2O2/c1-9(12(17)8-14)16-13(18)11(15)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)/t9-,11?/m0/s1
InChIKeyPLSKYGMKNSXQIJ-FTNKSUMCSA-N
MW252.29 g/mol
LogP0.60
Rot. Bonds6

About 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide

2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide (PubChem CID 59684100) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
PubChem CID59684100
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide
SMILESC[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)CF
InChIInChI=1S/C13H17FN2O2/c1-9(12(17)8-14)16-13(18)11(15)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)/t9-,11?/m0/s1
InChIKeyPLSKYGMKNSXQIJ-FTNKSUMCSA-N
XLogP0.60
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]propanoic acid
CID 18223062
2-amino-3-phenyl-N-propan-2-ylpropanamide
CID 15926064
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
(2S)-2-amino-N-[1-oxo-1-(propylamino)propan-2-yl]-3-phenylpropanamide
CID 61180741
1-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethylphosphonous acid
CID 22811613
2-bromoethyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate
CID 70619244
(2S)-2-amino-N-[1-(diethylamino)-1-oxopropan-2-yl]-3-phenylpropanamide
CID 61153941
(2R)-2-amino-N-butan-2-yl-3-phenylpropanamide
CID 78985447
2-amino-3-phenyl-N-(1-phenylethyl)propanamide
CID 24709310
[(1R)-1-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]ethyl]phosphonic acid
CID 54374404
(2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]propanoyl]amino]butanedioic acid
CID 15086435
(2R)-2-amino-N-[(2S)-1-[2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 10841941

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide (CID 59684100) is 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide is C[C@H](NC(=O)C(N)Cc1ccccc1)C(=O)CF.
What is the InChIKey of 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide?
The InChIKey is PLSKYGMKNSXQIJ-FTNKSUMCSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-9(12(17)8-14)16-13(18)11(15)7-10-5-3-2-4-6-10/h2-6,9,11H,7-8,15H2,1H3,(H,16,18)/t9-,11?/m0/s1.
What are the key properties of 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide?
2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide has a molecular weight of 252.29 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-4-fluoro-3-oxobutan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 59684100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).