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

C23H21NO2S — CID 24860501

IUPAC(2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid
SMILESCc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H21NO2S/c1-15-10-12-16(13-11-15)23(27-14-21(24)22(25)26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,21H,14,24H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyYWCIZQDYPYCAPN-NRFANRHFSA-N
MW375.49 g/mol
LogP4.41
Rot. Bonds5

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

(2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid (PubChem CID 24860501) has the molecular formula C23H21NO2S and a molecular weight of 375.49 g/mol. Its IUPAC name is (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid
PubChem CID24860501
Molecular FormulaC23H21NO2S
Molecular Weight375.49 g/mol
Exact Mass375.13
IUPAC Name(2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid
SMILESCc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H21NO2S/c1-15-10-12-16(13-11-15)23(27-14-21(24)22(25)26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,21H,14,24H2,1H3,(H,25,26)/t21-/m0/s1
InChIKeyYWCIZQDYPYCAPN-NRFANRHFSA-N
XLogP4.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 54.41
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-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid (CID 24860501) is (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid is Cc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid?
The InChIKey is YWCIZQDYPYCAPN-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21NO2S/c1-15-10-12-16(13-11-15)23(27-14-21(24)22(25)26)19-8-4-2-6-17(19)18-7-3-5-9-20(18)23/h2-13,21H,14,24H2,1H3,(H,25,26)/t21-/m0/s1.
What are the key properties of (2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid?
(2R)-2-amino-3-[9-(4-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid has a molecular weight of 375.49 g/mol, XLogP of 4.41, 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-methylphenyl)fluoren-9-yl]sulfanylpropanoic acid is sourced from PubChem (CID 24860501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).