(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid

C11H13FN2O3 — CID 83194252

IUPAC(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)Nc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-7(11(16)17)13-6-10(15)14-9-5-3-2-4-8(9)12/h2-5,7,13H,6H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyGADZWVULGBSMMR-SSDOTTSWSA-N
MW240.23 g/mol
LogP0.83
Rot. Bonds5

About (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid

(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83194252) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
PubChem CID83194252
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@@H](NCC(=O)Nc1ccccc1F)C(=O)O
InChIInChI=1S/C11H13FN2O3/c1-7(11(16)17)13-6-10(15)14-9-5-3-2-4-8(9)12/h2-5,7,13H,6H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1
InChIKeyGADZWVULGBSMMR-SSDOTTSWSA-N
XLogP0.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194221
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N,N-dimethylpropanamide
CID 61464633
N-(2-fluorophenyl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]acetamide
CID 79248992
2-[[2-(2,5-difluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43467290
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695769
(2S)-2-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]propanoic acid
CID 83194689
(2S)-2-[[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 83193996
2-[[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]amino]propanoic acid
CID 43466905
(2S)-2-[[2-(2-cyanoanilino)-2-oxoethyl]amino]propanoic acid
CID 83194298
2-[[(1S)-1-cycloheptylethyl]amino]-N-(2-fluorophenyl)acetamide
CID 81390056
2-[[1-(4-chlorophenyl)-2-methylpropyl]amino]-N-(2-fluorophenyl)acetamide
CID 16598681
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid (CID 83194252) is (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid is C[C@@H](NCC(=O)Nc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is GADZWVULGBSMMR-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-7(11(16)17)13-6-10(15)14-9-5-3-2-4-8(9)12/h2-5,7,13H,6H2,1H3,(H,14,15)(H,16,17)/t7-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid?
(2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 240.23 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83194252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).