4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid

C11H13F3N2O3 — CID 62478119

IUPAC4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCOCCC(Nc1ncccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H13F3N2O3/c1-19-6-4-8(10(17)18)16-9-7(11(12,13)14)3-2-5-15-9/h2-3,5,8H,4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyGFCPKLIFVBCINJ-UHFFFAOYSA-N
MW278.23 g/mol
LogP2.00
Rot. Bonds6

About 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid

4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (PubChem CID 62478119) has the molecular formula C11H13F3N2O3 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
PubChem CID62478119
Molecular FormulaC11H13F3N2O3
Molecular Weight278.23 g/mol
Exact Mass278.09
IUPAC Name4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
SMILESCOCCC(Nc1ncccc1C(F)(F)F)C(=O)O
InChIInChI=1S/C11H13F3N2O3/c1-19-6-4-8(10(17)18)16-9-7(11(12,13)14)3-2-5-15-9/h2-3,5,8H,4,6H2,1H3,(H,15,16)(H,17,18)
InChIKeyGFCPKLIFVBCINJ-UHFFFAOYSA-N
XLogP2.00
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 114155563
4-methoxy-2-[(3-methylpyrazin-2-yl)amino]butanoic acid
CID 83063532
3-methyl-2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]butanoic acid
CID 65226846
2-cyclopropyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]acetic acid
CID 55107908
4-methoxy-2-(quinazolin-4-ylamino)butanoic acid
CID 55075952
N-benzhydryl-3-(trifluoromethyl)pyridin-2-amine
CID 71528051
2-[(1-ethylimidazol-2-yl)amino]-4-methoxybutanoic acid
CID 62478814
N-(4-chlorobutan-2-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 83188558
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
2-(propan-2-ylamino)-4-[2-(trifluoromethyl)phenoxy]butanoic acid
CID 63041584
2-[(3-ethyl-2-pyridinyl)methylcarbamoylamino]-4-methoxybutanoic acid
CID 82731415

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid (CID 62478119) is 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is COCCC(Nc1ncccc1C(F)(F)F)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
The InChIKey is GFCPKLIFVBCINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3/c1-19-6-4-8(10(17)18)16-9-7(11(12,13)14)3-2-5-15-9/h2-3,5,8H,4,6H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid?
4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid has a molecular weight of 278.23 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid is sourced from PubChem (CID 62478119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).