(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

C21H20FNO5 — CID 70651395

IUPAC(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESO=C(N[C@@H](COCc1ccccc1)C(=O)O)C1CC=C(c2ccccc2F)O1
InChIInChI=1S/C21H20FNO5/c22-16-9-5-4-8-15(16)18-10-11-19(28-18)20(24)23-17(21(25)26)13-27-12-14-6-2-1-3-7-14/h1-10,17,19H,11-13H2,(H,23,24)(H,25,26)/t17-,19?/m0/s1
InChIKeyIOLOGFXTHYQKHP-KKFHFHRHSA-N
MW385.39 g/mol
LogP2.74
Rot. Bonds8

About (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid

(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (PubChem CID 70651395) has the molecular formula C21H20FNO5 and a molecular weight of 385.39 g/mol. Its IUPAC name is (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
PubChem CID70651395
Molecular FormulaC21H20FNO5
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC Name(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
SMILESO=C(N[C@@H](COCc1ccccc1)C(=O)O)C1CC=C(c2ccccc2F)O1
InChIInChI=1S/C21H20FNO5/c22-16-9-5-4-8-15(16)18-10-11-19(28-18)20(24)23-17(21(25)26)13-27-12-14-6-2-1-3-7-14/h1-10,17,19H,11-13H2,(H,23,24)(H,25,26)/t17-,19?/m0/s1
InChIKeyIOLOGFXTHYQKHP-KKFHFHRHSA-N
XLogP2.74
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[5-(3-hydroxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 70651743
2-[[5-(3-methoxyphenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 70652039
(2R)-2-(2,2-dimethylpropanoylamino)-3-phenylmethoxypropanoic acid
CID 59970231
(2S)-2-(2-bromopropanoylamino)-3-phenylmethoxypropanoic acid
CID 141127685
2-anilino-3-phenylmethoxypropanoic acid
CID 154530203
2-[[4-(2-hydroxyphenyl)furan-2-carbonyl]amino]-3-phenylmethoxypropanoic acid
CID 56596844
(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421898
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(pyridin-4-ylmethoxy)propanoic acid
CID 178201529
(2S)-2-[(5-fluoro-4-methoxypyrimidin-2-yl)amino]-3-phenylmethoxypropanoic acid
CID 137337726
(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-phenylmethoxypropanoic acid
CID 71421896
(2R)-2-(benzylsulfonylamino)-3-phenylmethoxypropanoic acid
CID 11163898
(2R)-3-(2-fluorophenyl)-2-(4-phenylmethoxybutanoylamino)propanoic acid
CID 170714569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The IUPAC name of (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid (CID 70651395) is (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid.
What is the SMILES notation for (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The canonical SMILES for (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is O=C(N[C@@H](COCc1ccccc1)C(=O)O)C1CC=C(c2ccccc2F)O1.
What is the InChIKey of (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
The InChIKey is IOLOGFXTHYQKHP-KKFHFHRHSA-N. The full InChI is InChI=1S/C21H20FNO5/c22-16-9-5-4-8-15(16)18-10-11-19(28-18)20(24)23-17(21(25)26)13-27-12-14-6-2-1-3-7-14/h1-10,17,19H,11-13H2,(H,23,24)(H,25,26)/t17-,19?/m0/s1.
What are the key properties of (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid?
(2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid has a molecular weight of 385.39 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-fluorophenyl)-2,3-dihydrofuran-2-carbonyl]amino]-3-phenylmethoxypropanoic acid is sourced from PubChem (CID 70651395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).