ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate

C20H22FNO4 — CID 102029792

IUPACethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](F)c1ccc(OC)cc1
InChIInChI=1S/C20H22FNO4/c1-3-26-20(24)17(13-14-7-5-4-6-8-14)22-19(23)18(21)15-9-11-16(25-2)12-10-15/h4-12,17-18H,3,13H2,1-2H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyDHGZHLFFRROIBU-ZWKOTPCHSA-N
MW359.40 g/mol
LogP3.00
Rot. Bonds8

About ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate

ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate (PubChem CID 102029792) has the molecular formula C20H22FNO4 and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate
PubChem CID102029792
Molecular FormulaC20H22FNO4
Molecular Weight359.40 g/mol
Exact Mass359.15
IUPAC Nameethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](F)c1ccc(OC)cc1
InChIInChI=1S/C20H22FNO4/c1-3-26-20(24)17(13-14-7-5-4-6-8-14)22-19(23)18(21)15-9-11-16(25-2)12-10-15/h4-12,17-18H,3,13H2,1-2H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyDHGZHLFFRROIBU-ZWKOTPCHSA-N
XLogP3.00
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate with MolForge

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Related Compounds

ethyl (2S)-3-(4-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 10522314
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
ethyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoate
CID 15546721
ethyl (2S)-3-phenyl-2-(2-propylpentanoylamino)propanoate
CID 10829459
ethyl (2S)-2-[(2-fluoro-2-phenylacetyl)amino]propanoate
CID 22894970
(1-ethoxy-1-oxo-3-phenylpropan-2-yl)carbamodithioic acid
CID 11780574
benzyl (2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 130394596
ethyl 3-(4-methoxyphenyl)-2-[(2-methylbenzoyl)amino]propanoate
CID 142971104
ethyl 3-(4-hydroxyphenyl)-2-[(2-phenylacetyl)amino]propanoate
CID 11131238
ethyl (2S)-2-[[(2S,3S)-2,3-diacetyloxy-4-[[(2S)-1-ethoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoate
CID 501435
ethyl (2S)-2-[[(2S)-2-[(2,2-diphenylacetyl)amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 131719396
ethyl 2-fluoro-3-(4-methoxyphenyl)propanoate
CID 141121137

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate (CID 102029792) is ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate is CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](F)c1ccc(OC)cc1.
What is the InChIKey of ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate?
The InChIKey is DHGZHLFFRROIBU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H22FNO4/c1-3-26-20(24)17(13-14-7-5-4-6-8-14)22-19(23)18(21)15-9-11-16(25-2)12-10-15/h4-12,17-18H,3,13H2,1-2H3,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate?
ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate has a molecular weight of 359.40 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 102029792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).