ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate

C20H23FN2O3 — CID 164527000

IUPACethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
SMILESCCOC(=O)[C@H](N)CNC(=O)c1cc(F)cc(-c2ccccc2CC)c1
InChIInChI=1S/C20H23FN2O3/c1-3-13-7-5-6-8-17(13)14-9-15(11-16(21)10-14)19(24)23-12-18(22)20(25)26-4-2/h5-11,18H,3-4,12,22H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyUOVKSQONRQKNQJ-GOSISDBHSA-N
MW358.41 g/mol
LogP2.68
Rot. Bonds7

About ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate

ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate (PubChem CID 164527000) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
PubChem CID164527000
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Nameethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
SMILESCCOC(=O)[C@H](N)CNC(=O)c1cc(F)cc(-c2ccccc2CC)c1
InChIInChI=1S/C20H23FN2O3/c1-3-13-7-5-6-8-17(13)14-9-15(11-16(21)10-14)19(24)23-12-18(22)20(25)26-4-2/h5-11,18H,3-4,12,22H2,1-2H3,(H,23,24)/t18-/m1/s1
InChIKeyUOVKSQONRQKNQJ-GOSISDBHSA-N
XLogP2.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526841
methyl 2-amino-3-[[3-(2-ethylfuran-3-yl)-5-fluorobenzoyl]amino]propanoate
CID 167117372
benzyl (2R)-2-amino-3-[[3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzoyl]amino]propanoate
CID 164526873
benzyl 3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate
CID 164526971
2-amino-3-[[3-(2-carbamoylphenyl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527255
methyl 2-amino-3-[[3-(3-ethyl-1,2-thiazol-4-yl)-5-fluorobenzoyl]amino]propanoate
CID 167117347
(2R)-2-amino-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164526780
phenyl 2-amino-3-[[3-(4-chloro-1-ethylpyrazol-5-yl)-5-fluorobenzoyl]amino]propanoate
CID 167117374
N-(2-aminopentyl)-3,5-difluorobenzamide
CID 115737672
(2R)-2-amino-3-[[3-(5-tert-butyl-1,2-oxazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527264
N-[(2S)-2-amino-4-methyl-3-oxopentyl]-3-fluorobenzamide
CID 168911378
2-amino-3-[[3-(3-ethylimidazol-4-yl)-5-fluorobenzoyl]amino]propanoic acid
CID 164527008

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate (CID 164527000) is ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate is CCOC(=O)[C@H](N)CNC(=O)c1cc(F)cc(-c2ccccc2CC)c1.
What is the InChIKey of ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
The InChIKey is UOVKSQONRQKNQJ-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-13-7-5-6-8-17(13)14-9-15(11-16(21)10-14)19(24)23-12-18(22)20(25)26-4-2/h5-11,18H,3-4,12,22H2,1-2H3,(H,23,24)/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate?
ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate has a molecular weight of 358.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-amino-3-[[3-(2-ethylphenyl)-5-fluorobenzoyl]amino]propanoate is sourced from PubChem (CID 164527000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).