2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid

C13H14F3NO2 — CID 115050759

IUPAC2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid
SMILESCC(N)(C(=O)O)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F3NO2/c1-11(17,10(18)19)12(5-6-12)8-3-2-4-9(7-8)13(14,15)16/h2-4,7H,5-6,17H2,1H3,(H,18,19)
InChIKeyUAQLBPFXGKRIIP-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.54
Rot. Bonds3

About 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid

2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid (PubChem CID 115050759) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid.

Molecular Properties

Compound Name2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid
PubChem CID115050759
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid
SMILESCC(N)(C(=O)O)C1(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H14F3NO2/c1-11(17,10(18)19)12(5-6-12)8-3-2-4-9(7-8)13(14,15)16/h2-4,7H,5-6,17H2,1H3,(H,18,19)
InChIKeyUAQLBPFXGKRIIP-UHFFFAOYSA-N
XLogP2.54
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-tert-butylcyclohexyl)-3-(trifluoromethyl)benzene
CID 59590181
2-amino-2,3-dimethyl-3-[3-(trifluoromethyl)phenyl]butanoic acid
CID 115050963
2-amino-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]pentanamide
CID 119772788
2-[3-(trifluoromethyl)phenyl]oxetane-2-carboxylic acid
CID 117258800
methyl 2-amino-2-[1-(3-fluorophenyl)cyclopropyl]propanoate
CID 115041992
2-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetic acid
CID 66748836
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]cyclopropane-1-carboxamide
CID 119805107
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol;hydroiodide
CID 171929292
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
1-methyl-3-[3-[1-(trifluoromethyl)cyclopropyl]phenyl]cyclobut-2-en-1-amine;2,2,2-trifluoroacetic acid
CID 175794675

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid?
The IUPAC name of 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid (CID 115050759) is 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid.
What is the SMILES notation for 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid?
The canonical SMILES for 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid is CC(N)(C(=O)O)C1(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid?
The InChIKey is UAQLBPFXGKRIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-11(17,10(18)19)12(5-6-12)8-3-2-4-9(7-8)13(14,15)16/h2-4,7H,5-6,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid?
2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid has a molecular weight of 273.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propanoic acid is sourced from PubChem (CID 115050759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).