2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid

C13H14F3NO2 — CID 54895164

IUPAC2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)11(12(18)19)17-7-8-5-6-8/h1-4,8,11,17H,5-7H2,(H,18,19)
InChIKeyFGLIAPCIARHTDA-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.83
Rot. Bonds5

About 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid

2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 54895164) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
PubChem CID54895164
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(NCC1CC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)11(12(18)19)17-7-8-5-6-8/h1-4,8,11,17H,5-7H2,(H,18,19)
InChIKeyFGLIAPCIARHTDA-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-2-(cyclopropylmethylamino)acetic acid
CID 61002560
(2R)-2-(methylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 93280066
2-[[1-(cyclopropylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 71915617
2-(butan-2-ylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 54908281
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 24903485
2-(cyclopropylmethylamino)-2-(4-fluorophenyl)acetic acid
CID 61002227
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-[2-(trifluoromethyl)phenyl]acetic acid
CID 166253350
2-(5-chloro-2-methoxyphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 112515035
2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
methyl (2R)-2-(cyclobutanecarbonylamino)-2-[2-(trifluoromethyl)phenyl]acetate
CID 95140162
2-(cyclopropylmethylamino)-2-(2,4,5-trimethoxyphenyl)acetic acid
CID 61002329

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid (CID 54895164) is 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid is O=C(O)C(NCC1CC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is FGLIAPCIARHTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c14-13(15,16)10-4-2-1-3-9(10)11(12(18)19)17-7-8-5-6-8/h1-4,8,11,17H,5-7H2,(H,18,19).
What are the key properties of 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid?
2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 273.25 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-2-[2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 54895164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).