3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid

C15H16F3NO3 — CID 75495592

IUPAC3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c1-19(7-6-13(20)21)14(22)11-8-10(11)9-4-2-3-5-12(9)15(16,17)18/h2-5,10-11H,6-8H2,1H3,(H,20,21)
InChIKeyNCDRJWZUQHSYII-UHFFFAOYSA-N
MW315.29 g/mol
LogP2.74
Rot. Bonds5

About 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid

3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 75495592) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
PubChem CID75495592
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)C1CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3NO3/c1-19(7-6-13(20)21)14(22)11-8-10(11)9-4-2-3-5-12(9)15(16,17)18/h2-5,10-11H,6-8H2,1H3,(H,20,21)
InChIKeyNCDRJWZUQHSYII-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

3-[methyl-[(1R,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686663
3-[methyl-[(1S,2R)-2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 124686690
N,N-dipropyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78832857
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
2-[2-methoxyethyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119188956
3-[[(1S,2S)-2-(2,3-dichlorophenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 125132269
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
N-cycloheptyl-N-methyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112806629
2-methyl-5-[[methyl-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]methyl]furan-3-carboxylic acid
CID 125119372
4-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]-methylamino]butanoic acid
CID 99845719
2-(2-chlorophenyl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55550792
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid (CID 75495592) is 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid is CN(CCC(=O)O)C(=O)C1CC1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is NCDRJWZUQHSYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c1-19(7-6-13(20)21)14(22)11-8-10(11)9-4-2-3-5-12(9)15(16,17)18/h2-5,10-11H,6-8H2,1H3,(H,20,21).
What are the key properties of 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic 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 3-[methyl-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 75495592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).