methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate

C17H19F3N2O5 — CID 166250259

IUPACmethyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate
SMILESCOC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C17H19F3N2O5/c1-26-16(25)13(22-14(23)9-21-15(24)11-4-5-11)8-10-2-6-12(7-3-10)27-17(18,19)20/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyHREFBGVEWPOAMN-UHFFFAOYSA-N
MW388.34 g/mol
LogP1.31
Rot. Bonds8

About methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate

methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate (PubChem CID 166250259) has the molecular formula C17H19F3N2O5 and a molecular weight of 388.34 g/mol. Its IUPAC name is methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate
PubChem CID166250259
Molecular FormulaC17H19F3N2O5
Molecular Weight388.34 g/mol
Exact Mass388.12
IUPAC Namemethyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate
SMILESCOC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)CNC(=O)C1CC1
InChIInChI=1S/C17H19F3N2O5/c1-26-16(25)13(22-14(23)9-21-15(24)11-4-5-11)8-10-2-6-12(7-3-10)27-17(18,19)20/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,21,24)(H,22,23)
InChIKeyHREFBGVEWPOAMN-UHFFFAOYSA-N
XLogP1.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-4-[4-(trifluoromethoxy)phenyl]butanoate
CID 102366154
dimethyl (2S,3R)-2-hydroxy-3-[[4-(trifluoromethoxy)phenyl]methyl]butanedioate
CID 59432804
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
N-[2-oxo-2-(1-phenylpropan-2-ylamino)ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 144699390
N-[2-[1-(4-bromophenyl)propan-2-ylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47288217
2-(methanesulfonamido)-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CID 146137220
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947
1-cyclopropyl-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 62620228
ethyl (2S)-3-(4-bromophenyl)-2-[[1-[4-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoate
CID 91081896
methyl (2S)-3-(4-bromophenyl)-2-(oxane-4-carbonylamino)propanoate
CID 138985495
[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] 4-(trifluoromethoxy)benzoate
CID 8661680
methyl 2-[[2-[[2-[[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]amino]acetyl]amino]acetyl]amino]-3-(4-iodophenyl)propanoate
CID 167180869

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate?
The IUPAC name of methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate (CID 166250259) is methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate?
The canonical SMILES for methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate is COC(=O)C(Cc1ccc(OC(F)(F)F)cc1)NC(=O)CNC(=O)C1CC1.
What is the InChIKey of methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate?
The InChIKey is HREFBGVEWPOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O5/c1-26-16(25)13(22-14(23)9-21-15(24)11-4-5-11)8-10-2-6-12(7-3-10)27-17(18,19)20/h2-3,6-7,11,13H,4-5,8-9H2,1H3,(H,21,24)(H,22,23).
What are the key properties of methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate?
methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate has a molecular weight of 388.34 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(cyclopropanecarbonylamino)acetyl]amino]-3-[4-(trifluoromethoxy)phenyl]propanoate is sourced from PubChem (CID 166250259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).