3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid

C13H14F3NO2 — CID 103244651

IUPAC3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
SMILESO=C(O)C(CNC1CC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10(12(18)19)7-17-11-6-9(11)8-4-2-1-3-5-8/h1-5,9-11,17H,6-7H2,(H,18,19)
InChIKeyKHKNODMDIOYLBZ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.40
Rot. Bonds5

About 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid

3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid (PubChem CID 103244651) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
PubChem CID103244651
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid
SMILESO=C(O)C(CNC1CC1c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10(12(18)19)7-17-11-6-9(11)8-4-2-1-3-5-8/h1-5,9-11,17H,6-7H2,(H,18,19)
InChIKeyKHKNODMDIOYLBZ-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[(2-phenylcyclopropyl)amino]propan-2-ol
CID 106932009
2,2,2-trifluoro-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
CID 92859467
2-N-methyl-1-N-(2-phenylcyclopropyl)propane-1,2-diamine
CID 62632238
N-(2,2-diethoxyethyl)-2-phenylcyclopropan-1-amine
CID 81093085
N'-hydroxy-2-methyl-3-[(2-phenylcyclopropyl)amino]propanimidamide
CID 77030977
4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422500
2-methyl-3-[(2-phenylcyclopropyl)carbamoylamino]propanoic acid
CID 55105274
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-phenylcyclopropyl)urea
CID 111338273
tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
CID 103244657
2-methyl-3-oxo-3-[(2-phenylcyclopropyl)amino]propanoic acid
CID 114898248
3-[[(2-phenylcyclopropyl)amino]methyl]pentan-3-ol
CID 115919440

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid (CID 103244651) is 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid is O=C(O)C(CNC1CC1c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid?
The InChIKey is KHKNODMDIOYLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10(12(18)19)7-17-11-6-9(11)8-4-2-1-3-5-8/h1-5,9-11,17H,6-7H2,(H,18,19).
What are the key properties of 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid?
3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid has a molecular weight of 273.25 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[(2-phenylcyclopropyl)amino]methyl]propanoic acid is sourced from PubChem (CID 103244651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).