2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid

C15H16F3NO3 — CID 119206122

IUPAC2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO3/c1-2-19(8-13(20)21)14(22)12-7-11(12)9-4-3-5-10(6-9)15(16,17)18/h3-6,11-12H,2,7-8H2,1H3,(H,20,21)
InChIKeyFGDCMNWRVCSPAD-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.74
Rot. Bonds5

About 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid

2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid (PubChem CID 119206122) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
PubChem CID119206122
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)C1CC1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H16F3NO3/c1-2-19(8-13(20)21)14(22)12-7-11(12)9-4-3-5-10(6-9)15(16,17)18/h3-6,11-12H,2,7-8H2,1H3,(H,20,21)
InChIKeyFGDCMNWRVCSPAD-UHFFFAOYSA-N
XLogP2.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075
ethyl 2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 57429659
2-[[2-(3-chlorophenyl)cyclopropanecarbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189714
methyl 2-[ethyl-(2-phenylcyclopropanecarbonyl)amino]acetate
CID 78971313
2-methyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-ol
CID 81415478
3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119129363
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193022
2-[[2-(4-fluorophenyl)cyclopropanecarbonyl]-propylamino]acetic acid
CID 119205251
2-[N-ethyl-3-(trifluoromethyl)anilino]acetic acid
CID 83561847
N-[1-(4-fluorophenyl)piperidin-4-yl]-N-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86933953
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid (CID 119206122) is 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid is CCN(CC(=O)O)C(=O)C1CC1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
The InChIKey is FGDCMNWRVCSPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-2-19(8-13(20)21)14(22)12-7-11(12)9-4-3-5-10(6-9)15(16,17)18/h3-6,11-12H,2,7-8H2,1H3,(H,20,21).
What are the key properties of 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid?
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid has a molecular weight of 315.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid is sourced from PubChem (CID 119206122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).