(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid

C26H23NO4 — CID 18650368

IUPAC(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2cccc3c2C(c2ccccc2)c2ccccc2-3)[C@H]1C(=O)O
InChIInChI=1S/C26H23NO4/c28-25(29)20-13-7-15-27(24(20)26(30)31)21-14-6-12-19-17-10-4-5-11-18(17)22(23(19)21)16-8-2-1-3-9-16/h1-6,8-12,14,20,22,24H,7,13,15H2,(H,28,29)(H,30,31)/t20-,22?,24+/m0/s1
InChIKeyKXOVXQPHXOUNJP-BRGACJNDSA-N
MW413.47 g/mol
LogP4.60
Rot. Bonds4

About (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid

(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid (PubChem CID 18650368) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid
PubChem CID18650368
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid
SMILESO=C(O)[C@H]1CCCN(c2cccc3c2C(c2ccccc2)c2ccccc2-3)[C@H]1C(=O)O
InChIInChI=1S/C26H23NO4/c28-25(29)20-13-7-15-27(24(20)26(30)31)21-14-6-12-19-17-10-4-5-11-18(17)22(23(19)21)16-8-2-1-3-9-16/h1-6,8-12,14,20,22,24H,7,13,15H2,(H,28,29)(H,30,31)/t20-,22?,24+/m0/s1
InChIKeyKXOVXQPHXOUNJP-BRGACJNDSA-N
XLogP4.60
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
CID 53395529
9-phenyl-9H-fluorene
CID 13091
(1S,10bS)-3-oxo-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 97033627
(1R,3E,10bS)-3-hydrazinylidene-2,10b-dihydro-1H-fluoranthene-1-carboxylic acid
CID 99984654
(3S,4S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 154726185
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
2-(3,4-dihydro-2H-quinolin-1-yl)cyclopentane-1-carboxylic acid
CID 63068563
1-phenyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 18477073
5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one
CID 69033866
11-phenyl-11H-benzo[a]fluoren-1-ol
CID 177323934
(2S)-3-hydroxy-1-naphthalen-1-ylpyrrolidine-2-carboxylic acid
CID 67245808

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid?
The IUPAC name of (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid (CID 18650368) is (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid.
What is the SMILES notation for (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid?
The canonical SMILES for (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid is O=C(O)[C@H]1CCCN(c2cccc3c2C(c2ccccc2)c2ccccc2-3)[C@H]1C(=O)O.
What is the InChIKey of (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid?
The InChIKey is KXOVXQPHXOUNJP-BRGACJNDSA-N. The full InChI is InChI=1S/C26H23NO4/c28-25(29)20-13-7-15-27(24(20)26(30)31)21-14-6-12-19-17-10-4-5-11-18(17)22(23(19)21)16-8-2-1-3-9-16/h1-6,8-12,14,20,22,24H,7,13,15H2,(H,28,29)(H,30,31)/t20-,22?,24+/m0/s1.
What are the key properties of (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid?
(2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid has a molecular weight of 413.47 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-(9-phenyl-9H-fluoren-1-yl)piperidine-2,3-dicarboxylic acid is sourced from PubChem (CID 18650368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).