(2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid

C24H21F3N2O4S — CID 23650095

IUPAC(2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid
SMILESN[C@H](CC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21)C(=O)O
InChIInChI=1S/C24H21F3N2O4S/c25-24(26,27)22-18(14-4-2-1-3-5-14)11-17(34-22)13-33-16-6-7-20-15(10-16)8-9-29(20)21(30)12-19(28)23(31)32/h1-7,10-11,19H,8-9,12-13,28H2,(H,31,32)/t19-/m1/s1
InChIKeyJZNSGJMEWNIXQK-LJQANCHMSA-N
MW490.50 g/mol
LogP4.70
Rot. Bonds7

About (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid

(2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid (PubChem CID 23650095) has the molecular formula C24H21F3N2O4S and a molecular weight of 490.50 g/mol. Its IUPAC name is (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid
PubChem CID23650095
Molecular FormulaC24H21F3N2O4S
Molecular Weight490.50 g/mol
Exact Mass490.12
IUPAC Name(2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid
SMILESN[C@H](CC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21)C(=O)O
InChIInChI=1S/C24H21F3N2O4S/c25-24(26,27)22-18(14-4-2-1-3-5-14)11-17(34-22)13-33-16-6-7-20-15(10-16)8-9-29(20)21(30)12-19(28)23(31)32/h1-7,10-11,19H,8-9,12-13,28H2,(H,31,32)/t19-/m1/s1
InChIKeyJZNSGJMEWNIXQK-LJQANCHMSA-N
XLogP4.70
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.50
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid?
The IUPAC name of (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid (CID 23650095) is (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid?
The canonical SMILES for (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid is N[C@H](CC(=O)N1CCc2cc(OCc3cc(-c4ccccc4)c(C(F)(F)F)s3)ccc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid?
The InChIKey is JZNSGJMEWNIXQK-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21F3N2O4S/c25-24(26,27)22-18(14-4-2-1-3-5-14)11-17(34-22)13-33-16-6-7-20-15(10-16)8-9-29(20)21(30)12-19(28)23(31)32/h1-7,10-11,19H,8-9,12-13,28H2,(H,31,32)/t19-/m1/s1.
What are the key properties of (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid?
(2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid has a molecular weight of 490.50 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-oxo-4-[5-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]-2,3-dihydroindol-1-yl]butanoic acid is sourced from PubChem (CID 23650095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).