4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid

C14H17F3N2O5 — CID 120532346

IUPAC4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O5/c1-13(7-23-2,6-11(20)21)19-12(22)9-3-4-18-10(5-9)24-8-14(15,16)17/h3-5H,6-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRPBKIXAPTVRNRB-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.63
Rot. Bonds8

About 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid

4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid (PubChem CID 120532346) has the molecular formula C14H17F3N2O5 and a molecular weight of 350.29 g/mol. Its IUPAC name is 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
PubChem CID120532346
Molecular FormulaC14H17F3N2O5
Molecular Weight350.29 g/mol
Exact Mass350.11
IUPAC Name4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid
SMILESCOCC(C)(CC(=O)O)NC(=O)c1ccnc(OCC(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O5/c1-13(7-23-2,6-11(20)21)19-12(22)9-3-4-18-10(5-9)24-8-14(15,16)17/h3-5H,6-8H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyRPBKIXAPTVRNRB-UHFFFAOYSA-N
XLogP1.63
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-methyl-2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]propanoic acid
CID 120531851
4-methoxy-3-methyl-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 120532280
3-methoxy-2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120531677
3-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaene-3-carbonylamino)-4-methoxy-3-methylbutanoic acid
CID 120532233
2-[[2-(2-methoxyethoxy)pyridine-4-carbonyl]amino]-2-methylpropanoic acid
CID 120515829
4-methoxy-3-methyl-3-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]butanoic acid
CID 120532254
2-[ethyl-[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]acetic acid
CID 120519827
4-methoxy-3-methyl-3-[[6-(N-methylanilino)pyridine-3-carbonyl]amino]butanoic acid
CID 120532367
5-phenyl-4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]pentanoic acid
CID 120547139
4-[4-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]phenoxy]butanoic acid
CID 120530778
2-[4-[2-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 120529047
methyl 5-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]-1H-pyrrole-2-carboxylate
CID 166213529

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid (CID 120532346) is 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid is COCC(C)(CC(=O)O)NC(=O)c1ccnc(OCC(F)(F)F)c1.
What is the InChIKey of 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid?
The InChIKey is RPBKIXAPTVRNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5/c1-13(7-23-2,6-11(20)21)19-12(22)9-3-4-18-10(5-9)24-8-14(15,16)17/h3-5H,6-8H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid?
4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid has a molecular weight of 350.29 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-3-[[2-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120532346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).