(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide

C9H11FN2O — CID 13182012

IUPAC(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide
SMILESNC(=O)[C@@H](N)[C@H](F)c1ccccc1
InChIInChI=1S/C9H11FN2O/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H2,12,13)/t7-,8+/m1/s1
InChIKeyBSQAAMJFMNZUMZ-SFYZADRCSA-N
MW182.20 g/mol
LogP0.51
Rot. Bonds3

About (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide

(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide (PubChem CID 13182012) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide.

Molecular Properties

Compound Name(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide
PubChem CID13182012
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide
SMILESNC(=O)[C@@H](N)[C@H](F)c1ccccc1
InChIInChI=1S/C9H11FN2O/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H2,12,13)/t7-,8+/m1/s1
InChIKeyBSQAAMJFMNZUMZ-SFYZADRCSA-N
XLogP0.51
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(1R,2R)-2-fluoro-1,2-diphenylethanamine
CID 12617058
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
CID 24994544
(2S)-2-amino-3-(4-hydroxyphenyl)-3-phenylpropanamide
CID 90046511
2-phenyl-2-sulfanylacetamide
CID 19419425
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
CID 175734272
2-amino-3-(4-chlorophenyl)-3-fluoropropanoic acid
CID 12799522
2-hydroxy-2-phenylacetamide;hydrochloride
CID 67718904
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
methyl (2S,3R)-3-fluoro-2-methyl-3-phenylpropanoate
CID 12617133
methyl (2S,3S)-3-fluoro-2-methyl-3-phenylpropanoate
CID 23234221

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide?
The IUPAC name of (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide (CID 13182012) is (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide.
What is the SMILES notation for (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide?
The canonical SMILES for (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide is NC(=O)[C@@H](N)[C@H](F)c1ccccc1.
What is the InChIKey of (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide?
The InChIKey is BSQAAMJFMNZUMZ-SFYZADRCSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H2,12,13)/t7-,8+/m1/s1.
What are the key properties of (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide?
(2R,3R)-2-amino-3-fluoro-3-phenylpropanamide has a molecular weight of 182.20 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-amino-3-fluoro-3-phenylpropanamide is sourced from PubChem (CID 13182012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).