methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate

C15H19F3N2O3 — CID 10544531

IUPACmethyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-10(14(22)23-2)20-13(21)12(19-9-15(16,17)18)8-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H,20,21)/t10?,12-/m0/s1
InChIKeyRMLXIBYLXKQTCA-KFJBMODSSA-N
MW332.32 g/mol
LogP1.43
Rot. Bonds7

About methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate

methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate (PubChem CID 10544531) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate
PubChem CID10544531
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Namemethyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate
SMILESCOC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NCC(F)(F)F
InChIInChI=1S/C15H19F3N2O3/c1-10(14(22)23-2)20-13(21)12(19-9-15(16,17)18)8-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H,20,21)/t10?,12-/m0/s1
InChIKeyRMLXIBYLXKQTCA-KFJBMODSSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-4-methyl-2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanoate
CID 24756379
methyl (2S)-3-(4-phenylphenyl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 118356487
methyl (2S)-2-[[(2S)-2-[[3-(benzylamino)-4,4,4-trifluoro-2-hydroxybutyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 44541160
methyl 2-[(2-amino-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119291012
methyl (2R)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 13386580
methyl 2-[[3-phenyl-2-(6-phenylhexanoylamino)propanoyl]amino]propanoate
CID 123314292
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoate
CID 134824914
methyl (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]propanoate
CID 46211901
ethyl 4-phenyl-2-(2,2,2-trifluoroethylamino)butanoate
CID 62879401
methyl 3-(3-nitrophenyl)-2-(2,2,2-trifluoroethylamino)propanoate
CID 154639209
benzyl 2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 4054781
benzyl (2S)-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
CID 14367196

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate?
The IUPAC name of methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate (CID 10544531) is methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate is COC(=O)C(C)NC(=O)[C@H](Cc1ccccc1)NCC(F)(F)F.
What is the InChIKey of methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate?
The InChIKey is RMLXIBYLXKQTCA-KFJBMODSSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10(14(22)23-2)20-13(21)12(19-9-15(16,17)18)8-11-6-4-3-5-7-11/h3-7,10,12,19H,8-9H2,1-2H3,(H,20,21)/t10?,12-/m0/s1.
What are the key properties of methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate?
methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate has a molecular weight of 332.32 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]propanoate is sourced from PubChem (CID 10544531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).