2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid

C13H14F3NO3 — CID 107105253

IUPAC2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
SMILESO=C(O)C(NCc1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-3-1-2-8(6-10)7-17-11(12(18)19)9-4-5-9/h1-3,6,9,11,17H,4-5,7H2,(H,18,19)
InChIKeyYPRLIUWZFFXPSR-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.54
Rot. Bonds6

About 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid

2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid (PubChem CID 107105253) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
PubChem CID107105253
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Name2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
SMILESO=C(O)C(NCc1cccc(OC(F)(F)F)c1)C1CC1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-10-3-1-2-8(6-10)7-17-11(12(18)19)9-4-5-9/h1-3,6,9,11,17H,4-5,7H2,(H,18,19)
InChIKeyYPRLIUWZFFXPSR-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
CID 65059963
[3-hydroxy-3-[[3-(trifluoromethoxy)phenyl]methylamino]propyl]carbamic acid
CID 68608895
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 99850234
cis-(1S,2R)-2-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 51412984
N-propan-2-yl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetamide
CID 103643810
4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
4,4,4-trifluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 104854651
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
CID 74236468
2-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenoxy]propanoic acid
CID 142113374
1-cyclopropyl-3-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 64503594
1-ethyl-3-[[3-(trifluoromethoxy)phenyl]methyl]urea
CID 71250825

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid (CID 107105253) is 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid is O=C(O)C(NCc1cccc(OC(F)(F)F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid?
The InChIKey is YPRLIUWZFFXPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-10-3-1-2-8(6-10)7-17-11(12(18)19)9-4-5-9/h1-3,6,9,11,17H,4-5,7H2,(H,18,19).
What are the key properties of 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid?
2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid has a molecular weight of 289.25 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid is sourced from PubChem (CID 107105253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).