(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid

C26H22F3NO4 — CID 24820634

IUPAC(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid
SMILESN[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H22F3NO4/c27-26(28,29)16-11-9-15(10-12-16)24(22(30)13-23(31)32)25(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,24H,13-14,30H2,(H,31,32)/t22-,24?/m1/s1
InChIKeyIEMUKRXXJRSUPL-LETIRJCYSA-N
MW469.46 g/mol
LogP4.95
Rot. Bonds7

About (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid

(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid (PubChem CID 24820634) has the molecular formula C26H22F3NO4 and a molecular weight of 469.46 g/mol. Its IUPAC name is (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid
PubChem CID24820634
Molecular FormulaC26H22F3NO4
Molecular Weight469.46 g/mol
Exact Mass469.15
IUPAC Name(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid
SMILESN[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H22F3NO4/c27-26(28,29)16-11-9-15(10-12-16)24(22(30)13-23(31)32)25(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,24H,13-14,30H2,(H,31,32)/t22-,24?/m1/s1
InChIKeyIEMUKRXXJRSUPL-LETIRJCYSA-N
XLogP4.95
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-4-(3,4-difluorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820617
(3R)-3-amino-4-(3,4-dichlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820615
3-amino-5-(9H-fluoren-9-ylmethoxy)-4-naphthalen-2-yl-5-oxopentanoic acid
CID 74324932
(3S,4R)-3-amino-4-(3,4-dichlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 29416776
2-[amino-[4-(trifluoromethyl)phenyl]methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 53445043
(3S)-3-amino-4-(3-chlorophenyl)-5-(9H-fluoren-9-ylmethoxy)-5-oxopentanoic acid
CID 24820695
(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-thiophen-2-ylpentanoic acid
CID 24820684
9H-fluoren-9-ylmethyl 3-amino-5-chloro-2-(4-fluorophenyl)-5-oxopentanoate
CID 174782761
(3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[4-(trifluoromethyl)phenyl]butanoic acid
CID 7009821
3,5-diamino-4-[4-(trifluoromethyl)phenyl]heptanedioic acid
CID 170872841
(2R)-2-[amino-[3-(trifluoromethyl)phenyl]methyl]-3-(9H-fluoren-9-ylmethoxy)-3-oxopropanoic acid
CID 57350404
1-O-(9H-fluoren-9-ylmethyl) 5-O-methyl 3-amino-2-[4-(benzenesulfonyloxy)phenyl]pentanedioate
CID 87298347

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid?
The IUPAC name of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid (CID 24820634) is (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid.
What is the SMILES notation for (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid?
The canonical SMILES for (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid is N[C@H](CC(=O)O)C(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid?
The InChIKey is IEMUKRXXJRSUPL-LETIRJCYSA-N. The full InChI is InChI=1S/C26H22F3NO4/c27-26(28,29)16-11-9-15(10-12-16)24(22(30)13-23(31)32)25(33)34-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22,24H,13-14,30H2,(H,31,32)/t22-,24?/m1/s1.
What are the key properties of (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid?
(3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid has a molecular weight of 469.46 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-5-(9H-fluoren-9-ylmethoxy)-5-oxo-4-[4-(trifluoromethyl)phenyl]pentanoic acid is sourced from PubChem (CID 24820634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).