2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid

C25H23NO4 — CID 175564085

IUPAC2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid
SMILESCC(C)(C(=O)O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H23NO4/c1-24(2,23(29)30)21(22(27)28)26-25(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)25/h3-15,21,26H,1-2H3,(H,27,28)(H,29,30)
InChIKeyCBIUOCDIJAMCSY-UHFFFAOYSA-N
MW401.46 g/mol
LogP4.11
Rot. Bonds6

About 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid

2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid (PubChem CID 175564085) has the molecular formula C25H23NO4 and a molecular weight of 401.46 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid
PubChem CID175564085
Molecular FormulaC25H23NO4
Molecular Weight401.46 g/mol
Exact Mass401.16
IUPAC Name2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid
SMILESCC(C)(C(=O)O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C25H23NO4/c1-24(2,23(29)30)21(22(27)28)26-25(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)25/h3-15,21,26H,1-2H3,(H,27,28)(H,29,30)
InChIKeyCBIUOCDIJAMCSY-UHFFFAOYSA-N
XLogP4.11
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic 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

2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 22116668
methyl (2S)-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 132933261
(2S,4S)-2-methyl-5-[(2-methylpropan-2-yl)oxy]-5-oxo-4-[(9-phenylfluoren-9-yl)amino]pentanoic acid
CID 10551810
dimethyl (2S,3S)-2-hydroxy-3-[(9-phenylfluoren-9-yl)amino]butanedioate
CID 10960718
methyl (2S)-3-phenyl-2-[(9-phenylfluoren-9-yl)amino]propanoate
CID 10669760
4-hydroxy-3-methyl-2-[(9-phenylfluoren-9-yl)amino]butanamide
CID 142746764
(2S)-3-(2-bromophenyl)-2-[(9-phenylfluoren-9-yl)amino]propanoic acid
CID 10390602
methyl (E,2R)-6-azido-3,3-dimethyl-2-[(9-phenylfluoren-9-yl)amino]hex-4-enoate
CID 10599739
methyl (Z,2R)-3,3-dimethyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[(9-phenylfluoren-9-yl)amino]hex-4-enoate
CID 177457678
(3S)-2-methyl-4-oxo-3-[(9-phenylfluoren-9-yl)amino]-4-phenylmethoxybutanoic acid
CID 141334405
dimethyl 2-[(9-phenylfluoren-9-yl)amino]pentanedioate
CID 71346461
dimethyl (3R)-3-[(9-phenylfluoren-9-yl)amino]hexanedioate
CID 10982867

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid?
The IUPAC name of 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid (CID 175564085) is 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid?
The canonical SMILES for 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid is CC(C)(C(=O)O)C(NC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid?
The InChIKey is CBIUOCDIJAMCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO4/c1-24(2,23(29)30)21(22(27)28)26-25(16-10-4-3-5-11-16)19-14-8-6-12-17(19)18-13-7-9-15-20(18)25/h3-15,21,26H,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid?
2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid has a molecular weight of 401.46 g/mol, XLogP of 4.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(9-phenylfluoren-9-yl)amino]butanedioic acid is sourced from PubChem (CID 175564085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).