ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate

C17H18FNO3 — CID 102001487

IUPACethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)[C@H](O)[C@H](Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H18FNO3/c1-2-22-17(21)16(20)15(12-7-4-3-5-8-12)19-14-10-6-9-13(18)11-14/h3-11,15-16,19-20H,2H2,1H3/t15-,16-/m1/s1
InChIKeyAWAKZXYYCKCDQP-HZPDHXFCSA-N
MW303.33 g/mol
LogP2.90
Rot. Bonds6

About ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate

ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate (PubChem CID 102001487) has the molecular formula C17H18FNO3 and a molecular weight of 303.33 g/mol. Its IUPAC name is ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate
PubChem CID102001487
Molecular FormulaC17H18FNO3
Molecular Weight303.33 g/mol
Exact Mass303.13
IUPAC Nameethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate
SMILESCCOC(=O)[C@H](O)[C@H](Nc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C17H18FNO3/c1-2-22-17(21)16(20)15(12-7-4-3-5-8-12)19-14-10-6-9-13(18)11-14/h3-11,15-16,19-20H,2H2,1H3/t15-,16-/m1/s1
InChIKeyAWAKZXYYCKCDQP-HZPDHXFCSA-N
XLogP2.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl (2S,3R)-2-hydroxy-3-(4-methylanilino)-3-phenylpropanoate
CID 101189884
ethyl 3-(4-bromoanilino)-2-hydroxy-3-phenylpropanoate
CID 75062409
ethyl 3-(3-fluorophenyl)-2,3-dihydroxypropanoate
CID 171865537
ethyl 2-(3-fluoroanilino)-2-(2-fluorophenyl)acetate
CID 60993455
ethyl (2R,3R)-2-hydroxy-3-(2-methoxyanilino)-3-phenylpropanoate
CID 101189874
ethyl 2-(benzylamino)-2-(3-fluorophenyl)acetate
CID 60991187
ethyl (2S,3S)-3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoate
CID 163362371
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
N-(3-fluorophenyl)-2-(1-phenylethylamino)acetamide
CID 43179330
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
ethyl 2-[(3-fluorophenyl)carbamoyl]-3,3-dimethylbutanoate
CID 116537667

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate?
The IUPAC name of ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate (CID 102001487) is ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate?
The canonical SMILES for ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate is CCOC(=O)[C@H](O)[C@H](Nc1cccc(F)c1)c1ccccc1.
What is the InChIKey of ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate?
The InChIKey is AWAKZXYYCKCDQP-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H18FNO3/c1-2-22-17(21)16(20)15(12-7-4-3-5-8-12)19-14-10-6-9-13(18)11-14/h3-11,15-16,19-20H,2H2,1H3/t15-,16-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate?
ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate has a molecular weight of 303.33 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-(3-fluoroanilino)-2-hydroxy-3-phenylpropanoate is sourced from PubChem (CID 102001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).