methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate

C19H20FNO3 — CID 91643376

IUPACmethyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)c1cccc(F)c1
InChIInChI=1S/C19H20FNO3/c1-13(15-9-6-10-16(20)12-15)18(22)21-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,21,22)/t13?,17-/m0/s1
InChIKeyLAQPZHJINSCASX-RUINGEJQSA-N
MW329.37 g/mol
LogP2.83
Rot. Bonds6

About methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate

methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate (PubChem CID 91643376) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate
PubChem CID91643376
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namemethyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)c1cccc(F)c1
InChIInChI=1S/C19H20FNO3/c1-13(15-9-6-10-16(20)12-15)18(22)21-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,21,22)/t13?,17-/m0/s1
InChIKeyLAQPZHJINSCASX-RUINGEJQSA-N
XLogP2.83
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(3-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531470
methyl (2S)-2-[(2,2-diphenylacetyl)amino]-3-phenylpropanoate
CID 6992952
methyl (2S)-3-[4-(3-methoxyphenyl)phenyl]-2-[[(2S)-2-phenylpropanoyl]amino]propanoate
CID 174415876
(3S)-3-[[(2S)-2-(3-fluorophenyl)propanoyl]amino]butanoic acid
CID 97234251
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
3-[4-[2-(3-fluorophenyl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120541256
methyl (2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-phenylpropanoate
CID 11140872
methyl (2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-phenylpropanoate;hydrochloride
CID 67718842
methyl (2R)-2-[[(2R)-2-[[(2R)-3-(4-fluorophenyl)-2-methylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 159904050
methyl 2-[(3-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 3854350
methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-(2-anilinopropanoylamino)-3-phenylpropanoate
CID 45379970

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate (CID 91643376) is methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)C(C)c1cccc(F)c1.
What is the InChIKey of methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate?
The InChIKey is LAQPZHJINSCASX-RUINGEJQSA-N. The full InChI is InChI=1S/C19H20FNO3/c1-13(15-9-6-10-16(20)12-15)18(22)21-17(19(23)24-2)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,21,22)/t13?,17-/m0/s1.
What are the key properties of methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate?
methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate has a molecular weight of 329.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[2-(3-fluorophenyl)propanoylamino]-3-phenylpropanoate is sourced from PubChem (CID 91643376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).