(2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid

C22H19NO2S — CID 24860500

IUPAC(2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H19NO2S/c23-20(21(24)25)14-26-22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13,20H,14,23H2,(H,24,25)/t20-/m0/s1
InChIKeyCOCBSHSLZGLMNC-FQEVSTJZSA-N
MW361.47 g/mol
LogP4.10
Rot. Bonds5

About (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid

(2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid (PubChem CID 24860500) has the molecular formula C22H19NO2S and a molecular weight of 361.47 g/mol. Its IUPAC name is (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid
PubChem CID24860500
Molecular FormulaC22H19NO2S
Molecular Weight361.47 g/mol
Exact Mass361.11
IUPAC Name(2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C22H19NO2S/c23-20(21(24)25)14-26-22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13,20H,14,23H2,(H,24,25)/t20-/m0/s1
InChIKeyCOCBSHSLZGLMNC-FQEVSTJZSA-N
XLogP4.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.10
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-phenylfluoren-9-yl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid (CID 24860500) is (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid is N[C@@H](CSC1(c2ccccc2)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid?
The InChIKey is COCBSHSLZGLMNC-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H19NO2S/c23-20(21(24)25)14-26-22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13,20H,14,23H2,(H,24,25)/t20-/m0/s1.
What are the key properties of (2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid?
(2R)-2-amino-3-(9-phenylfluoren-9-yl)sulfanylpropanoic acid has a molecular weight of 361.47 g/mol, XLogP of 4.10, 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-phenylfluoren-9-yl)sulfanylpropanoic acid is sourced from PubChem (CID 24860500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).