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

C20H18F3NO3 — CID 119129363

IUPAC3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)C1CC1c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)14-8-4-7-13(9-14)15-10-16(15)19(27)24-17(11-18(25)26)12-5-2-1-3-6-12/h1-9,15-17H,10-11H2,(H,24,27)(H,25,26)
InChIKeyAEWJSSZACGBISQ-UHFFFAOYSA-N
MW377.36 g/mol
LogP4.14
Rot. Bonds6

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

3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid (PubChem CID 119129363) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
PubChem CID119129363
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
SMILESO=C(O)CC(NC(=O)C1CC1c1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C20H18F3NO3/c21-20(22,23)14-8-4-7-13(9-14)15-10-16(15)19(27)24-17(11-18(25)26)12-5-2-1-3-6-12/h1-9,15-17H,10-11H2,(H,24,27)(H,25,26)
InChIKeyAEWJSSZACGBISQ-UHFFFAOYSA-N
XLogP4.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[[(1S,2S)-2-(3-fluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 97310726
(2S)-3-methyl-2-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 119360146
N-(3-aminobutyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119497155
cis-(1S,2R)-N-propan-2-ylsulfonyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96523459
[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]methanone
CID 86937419
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
N-[3-(hydroxymethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 111116064
methyl 2-thiophen-2-yl-2-[[(1R,2R)-2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetate
CID 154877020
N-[1-(aminomethyl)cyclopentyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119566596
2-[ethyl-[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]acetic acid
CID 119206122
cis-(1S,2R)-N-(1,3-thiazol-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 95620997
trans-(1R,2R)-N-[(1-methylimidazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 96515120

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid (CID 119129363) is 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid is O=C(O)CC(NC(=O)C1CC1c1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
The InChIKey is AEWJSSZACGBISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO3/c21-20(22,23)14-8-4-7-13(9-14)15-10-16(15)19(27)24-17(11-18(25)26)12-5-2-1-3-6-12/h1-9,15-17H,10-11H2,(H,24,27)(H,25,26).
What are the key properties of 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid?
3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid has a molecular weight of 377.36 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[[2-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 119129363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).