(2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid

C22H18FNO2S — CID 24860502

IUPAC(2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2ccc(F)cc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H18FNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1
InChIKeyDCRGHKLXVWULPR-FQEVSTJZSA-N
MW379.46 g/mol
LogP4.24
Rot. Bonds5

About (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid

(2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid (PubChem CID 24860502) has the molecular formula C22H18FNO2S and a molecular weight of 379.46 g/mol. Its IUPAC name is (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid
PubChem CID24860502
Molecular FormulaC22H18FNO2S
Molecular Weight379.46 g/mol
Exact Mass379.10
IUPAC Name(2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2ccc(F)cc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H18FNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1
InChIKeyDCRGHKLXVWULPR-FQEVSTJZSA-N
XLogP4.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid (CID 24860502) is (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid is N[C@@H](CSC1(c2ccc(F)cc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
The InChIKey is DCRGHKLXVWULPR-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H18FNO2S/c23-15-11-9-14(10-12-15)22(27-13-20(24)21(25)26)18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,20H,13,24H2,(H,25,26)/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid?
(2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[9-(4-fluorophenyl)fluoren-9-yl]sulfanylpropanoic acid is sourced from PubChem (CID 24860502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).