3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid

C16H15F3N2O3 — CID 174238704

IUPAC3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid
SMILESO=C(O)CCNc1cnc(OCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)13-8-12(20-7-6-14(22)23)9-21-15(13)24-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,22,23)
InChIKeyZNLYYAOFKHMIIO-UHFFFAOYSA-N
MW340.30 g/mol
LogP3.57
Rot. Bonds7

About 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid

3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid (PubChem CID 174238704) has the molecular formula C16H15F3N2O3 and a molecular weight of 340.30 g/mol. Its IUPAC name is 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid
PubChem CID174238704
Molecular FormulaC16H15F3N2O3
Molecular Weight340.30 g/mol
Exact Mass340.10
IUPAC Name3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid
SMILESO=C(O)CCNc1cnc(OCc2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O3/c17-16(18,19)13-8-12(20-7-6-14(22)23)9-21-15(13)24-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,22,23)
InChIKeyZNLYYAOFKHMIIO-UHFFFAOYSA-N
XLogP3.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 167442855
3-[(2R)-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]propanoic acid
CID 167229589
3-[(2S)-1-[6-phenylmethoxy-5-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]propanoic acid
CID 167228887
methyl 6-phenylmethoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 118023691
3-[[6-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]amino]propanoic acid
CID 167442874
2,2,2-trifluoroethyl 5-chloro-6-phenylmethoxypyridine-3-carboxylate
CID 141001819
4-phenylmethoxy-2-(trifluoromethyl)benzoic acid;hydrochloride
CID 67852873
N-phenyl-5,6-bis(phenylmethoxy)pyridine-3-carboxamide
CID 102461442
4-[6-methoxy-5-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 167442924
3-[4-(trifluoromethyl)anilino]propanoic acid
CID 28897348
ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886

Frequently Asked Questions

What is the IUPAC name of 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid?
The IUPAC name of 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid (CID 174238704) is 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid?
The canonical SMILES for 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid is O=C(O)CCNc1cnc(OCc2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid?
The InChIKey is ZNLYYAOFKHMIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O3/c17-16(18,19)13-8-12(20-7-6-14(22)23)9-21-15(13)24-10-11-4-2-1-3-5-11/h1-5,8-9,20H,6-7,10H2,(H,22,23).
What are the key properties of 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid?
3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid has a molecular weight of 340.30 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-phenylmethoxy-5-(trifluoromethyl)-3-pyridinyl]amino]propanoic acid is sourced from PubChem (CID 174238704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).