(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide

C12H16F2N2O2 — CID 103796488

IUPAC(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H16F2N2O2/c13-11(14)10(17)7-16-12(18)9(15)6-8-4-2-1-3-5-8/h1-5,9-11,17H,6-7,15H2,(H,16,18)/t9-,10?/m0/s1
InChIKeyUJKYMHHAJJDVLM-RGURZIINSA-N
MW258.27 g/mol
LogP0.30
Rot. Bonds6

About (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide

(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide (PubChem CID 103796488) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
PubChem CID103796488
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide
SMILESN[C@@H](Cc1ccccc1)C(=O)NCC(O)C(F)F
InChIInChI=1S/C12H16F2N2O2/c13-11(14)10(17)7-16-12(18)9(15)6-8-4-2-1-3-5-8/h1-5,9-11,17H,6-7,15H2,(H,16,18)/t9-,10?/m0/s1
InChIKeyUJKYMHHAJJDVLM-RGURZIINSA-N
XLogP0.30
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-3-methylbutyl)-3-phenylpropanamide
CID 113492232
(2R)-2-amino-3-phenyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103795784
2-amino-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 43500101
(2R)-2-amino-N-(2,3-dimethylbutyl)-3-phenylpropanamide
CID 78996657
2-amino-N-(2-cyclopropyl-2-hydroxyethyl)-3-phenylpropanamide
CID 63297211
(2R)-2-amino-N-(2-hydroxypentyl)-3-phenylpropanamide
CID 103796801
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
2-amino-N-(2-methylbutyl)-3-phenylpropanamide
CID 55108121
(2R)-2-amino-N-but-2-ynyl-3-phenylpropanamide
CID 104861124
(2S)-2-amino-N-[(2S)-2-amino-3-phenylpropanoyl]-3-phenylpropanamide
CID 21116073
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide?
The IUPAC name of (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide (CID 103796488) is (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide?
The canonical SMILES for (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide is N[C@@H](Cc1ccccc1)C(=O)NCC(O)C(F)F.
What is the InChIKey of (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide?
The InChIKey is UJKYMHHAJJDVLM-RGURZIINSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c13-11(14)10(17)7-16-12(18)9(15)6-8-4-2-1-3-5-8/h1-5,9-11,17H,6-7,15H2,(H,16,18)/t9-,10?/m0/s1.
What are the key properties of (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide?
(2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide has a molecular weight of 258.27 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-phenylpropanamide is sourced from PubChem (CID 103796488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).