(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid

C27H23NO3S — CID 70052744

IUPAC(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid
SMILESCC(OC1(c2cccs2)c2ccccc2-c2ccc(-c3ccccc3)cc21)[C@H](N)C(=O)O
InChIInChI=1S/C27H23NO3S/c1-17(25(28)26(29)30)31-27(24-12-7-15-32-24)22-11-6-5-10-20(22)21-14-13-19(16-23(21)27)18-8-3-2-4-9-18/h2-17,25H,28H2,1H3,(H,29,30)/t17?,25-,27?/m0/s1
InChIKeyFHKJGOHFCSQQLL-PYOKQCAZSA-N
MW441.55 g/mol
LogP5.50
Rot. Bonds6

About (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid

(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid (PubChem CID 70052744) has the molecular formula C27H23NO3S and a molecular weight of 441.55 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid
PubChem CID70052744
Molecular FormulaC27H23NO3S
Molecular Weight441.55 g/mol
Exact Mass441.14
IUPAC Name(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid
SMILESCC(OC1(c2cccs2)c2ccccc2-c2ccc(-c3ccccc3)cc21)[C@H](N)C(=O)O
InChIInChI=1S/C27H23NO3S/c1-17(25(28)26(29)30)31-27(24-12-7-15-32-24)22-11-6-5-10-20(22)21-14-13-19(16-23(21)27)18-8-3-2-4-9-18/h2-17,25H,28H2,1H3,(H,29,30)/t17?,25-,27?/m0/s1
InChIKeyFHKJGOHFCSQQLL-PYOKQCAZSA-N
XLogP5.50
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.55
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(2-tert-butyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid
CID 70055257
(2S)-2-amino-3-(2-methoxy-9-phenylfluoren-9-yl)oxybutanoic acid
CID 70055882
(2S,3R)-2-amino-3-[9-(4-chlorophenyl)fluoren-9-yl]oxybutanoic acid
CID 54481020
(2S,3R)-2-amino-3-[9-(3-cyclopentylthiophen-2-yl)fluoren-9-yl]oxybutanoic acid
CID 54236446
(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
CID 70055433
9,9-difluoro-2-(4-phenylphenyl)fluorene
CID 162564484
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[4-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-[4-(4-phenylphenyl)phenyl]methyl]phenyl]-9,9-dimethylfluorene
CID 165167642
2-[4-[4-[9,9-dimethyl-7-(2-phenylphenyl)fluoren-2-yl]phenyl]phenyl]-9,9-dimethyl-7-(2-phenylphenyl)fluorene
CID 58880971
9-(2-bromophenyl)-2,7-diphenylfluoren-9-ol
CID 118049424
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
CID 10885315
2-(3,5-diphenylphenyl)-7-[4-[7-(3,5-diphenylphenyl)-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58880913

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid (CID 70052744) is (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid is CC(OC1(c2cccs2)c2ccccc2-c2ccc(-c3ccccc3)cc21)[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid?
The InChIKey is FHKJGOHFCSQQLL-PYOKQCAZSA-N. The full InChI is InChI=1S/C27H23NO3S/c1-17(25(28)26(29)30)31-27(24-12-7-15-32-24)22-11-6-5-10-20(22)21-14-13-19(16-23(21)27)18-8-3-2-4-9-18/h2-17,25H,28H2,1H3,(H,29,30)/t17?,25-,27?/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid?
(2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid has a molecular weight of 441.55 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-phenyl-9-thiophen-2-ylfluoren-9-yl)oxybutanoic acid is sourced from PubChem (CID 70052744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).