3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid

C18H19F3N2O3 — CID 151732988

IUPAC3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid
SMILESCCOc1cc(CCC(=O)O)cnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3/c1-2-26-15-9-13(5-8-16(24)25)11-23-17(15)22-10-12-3-6-14(7-4-12)18(19,20)21/h3-4,6-7,9,11H,2,5,8,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyRKYGSJSHAPCPOU-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.13
Rot. Bonds8

About 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid

3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid (PubChem CID 151732988) has the molecular formula C18H19F3N2O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid
PubChem CID151732988
Molecular FormulaC18H19F3N2O3
Molecular Weight368.36 g/mol
Exact Mass368.13
IUPAC Name3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid
SMILESCCOc1cc(CCC(=O)O)cnc1NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H19F3N2O3/c1-2-26-15-9-13(5-8-16(24)25)11-23-17(15)22-10-12-3-6-14(7-4-12)18(19,20)21/h3-4,6-7,9,11H,2,5,8,10H2,1H3,(H,22,23)(H,24,25)
InChIKeyRKYGSJSHAPCPOU-UHFFFAOYSA-N
XLogP4.13
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-4-(4-(3-(pyridin-2-ylamino)propoxy)phenyl)butanoic acid
CID 9862253
4-(6-Amino-5-phenylmethoxy-3-pyridinyl)benzoic acid
CID 21111459
CP-331684
CID 9840517
3-[[5-[2-(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)ethoxy]-2-pyridinyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 155541264
4-[6-Amino-5-(cyclobutylmethoxy)-3-pyridinyl]benzoic acid
CID 162668419
3-[4-[2-[Butyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
CID 25109387
3-[4-[2-[Ethyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
CID 25109583
3-[4-[2-[Propyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
CID 25109584
3-[4-[2-[Pentyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
CID 25109585
3-[4-[2-[Hexyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
CID 25109586
3-[4-[2-[Methyl(pyridin-2-yl)amino]ethoxy]phenyl]propanoic acid
CID 44390014
(4-{[6-cyclobutyl-3-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-7-yl)-2-fluorophenoxy]methyl}phenyl)acetic acid
CID 77844320

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid?
The IUPAC name of 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid (CID 151732988) is 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid?
The canonical SMILES for 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid is CCOc1cc(CCC(=O)O)cnc1NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid?
The InChIKey is RKYGSJSHAPCPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O3/c1-2-26-15-9-13(5-8-16(24)25)11-23-17(15)22-10-12-3-6-14(7-4-12)18(19,20)21/h3-4,6-7,9,11H,2,5,8,10H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid?
3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid has a molecular weight of 368.36 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethoxy-6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]propanoic acid is sourced from PubChem (CID 151732988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).