(2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid

C17H16F3N3O4 — CID 166340086

IUPAC(2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccc(O)cc1)C1CCCn2cc(C(F)(F)F)nc21
InChIInChI=1S/C17H16F3N3O4/c18-17(19,20)12-8-23-7-1-2-11(14(23)21-12)15(25)22-13(16(26)27)9-3-5-10(24)6-4-9/h3-6,8,11,13,24H,1-2,7H2,(H,22,25)(H,26,27)/t11?,13-/m1/s1
InChIKeySOTOJKPNBFEYQR-GLGOKHISSA-N
MW383.33 g/mol
LogP2.43
Rot. Bonds4

About (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid

(2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid (PubChem CID 166340086) has the molecular formula C17H16F3N3O4 and a molecular weight of 383.33 g/mol. Its IUPAC name is (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid
PubChem CID166340086
Molecular FormulaC17H16F3N3O4
Molecular Weight383.33 g/mol
Exact Mass383.11
IUPAC Name(2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid
SMILESO=C(N[C@@H](C(=O)O)c1ccc(O)cc1)C1CCCn2cc(C(F)(F)F)nc21
InChIInChI=1S/C17H16F3N3O4/c18-17(19,20)12-8-23-7-1-2-11(14(23)21-12)15(25)22-13(16(26)27)9-3-5-10(24)6-4-9/h3-6,8,11,13,24H,1-2,7H2,(H,22,25)(H,26,27)/t11?,13-/m1/s1
InChIKeySOTOJKPNBFEYQR-GLGOKHISSA-N
XLogP2.43
TPSA104.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid?
The IUPAC name of (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid (CID 166340086) is (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid is O=C(N[C@@H](C(=O)O)c1ccc(O)cc1)C1CCCn2cc(C(F)(F)F)nc21.
What is the InChIKey of (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid?
The InChIKey is SOTOJKPNBFEYQR-GLGOKHISSA-N. The full InChI is InChI=1S/C17H16F3N3O4/c18-17(19,20)12-8-23-7-1-2-11(14(23)21-12)15(25)22-13(16(26)27)9-3-5-10(24)6-4-9/h3-6,8,11,13,24H,1-2,7H2,(H,22,25)(H,26,27)/t11?,13-/m1/s1.
What are the key properties of (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid?
(2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid has a molecular weight of 383.33 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxyphenyl)-2-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carbonyl]amino]acetic acid is sourced from PubChem (CID 166340086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).