(2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid

C26H21NO2S — CID 24860504

IUPAC(2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2cccc3ccccc23)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C26H21NO2S/c27-24(25(28)29)16-30-26(21-15-7-9-17-8-1-2-10-18(17)21)22-13-5-3-11-19(22)20-12-4-6-14-23(20)26/h1-15,24H,16,27H2,(H,28,29)/t24-/m0/s1
InChIKeyMLVVICBYRJUQFB-DEOSSOPVSA-N
MW411.53 g/mol
LogP5.26
Rot. Bonds5

About (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid

(2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid (PubChem CID 24860504) has the molecular formula C26H21NO2S and a molecular weight of 411.53 g/mol. Its IUPAC name is (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid
PubChem CID24860504
Molecular FormulaC26H21NO2S
Molecular Weight411.53 g/mol
Exact Mass411.13
IUPAC Name(2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid
SMILESN[C@@H](CSC1(c2cccc3ccccc23)c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C26H21NO2S/c27-24(25(28)29)16-30-26(21-15-7-9-17-8-1-2-10-18(17)21)22-13-5-3-11-19(22)20-12-4-6-14-23(20)26/h1-15,24H,16,27H2,(H,28,29)/t24-/m0/s1
InChIKeyMLVVICBYRJUQFB-DEOSSOPVSA-N
XLogP5.26
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.26
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-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid (CID 24860504) is (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid is N[C@@H](CSC1(c2cccc3ccccc23)c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid?
The InChIKey is MLVVICBYRJUQFB-DEOSSOPVSA-N. The full InChI is InChI=1S/C26H21NO2S/c27-24(25(28)29)16-30-26(21-15-7-9-17-8-1-2-10-18(17)21)22-13-5-3-11-19(22)20-12-4-6-14-23(20)26/h1-15,24H,16,27H2,(H,28,29)/t24-/m0/s1.
What are the key properties of (2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid?
(2R)-2-amino-3-(9-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid has a molecular weight of 411.53 g/mol, XLogP of 5.26, 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-naphthalen-1-ylfluoren-9-yl)sulfanylpropanoic acid is sourced from PubChem (CID 24860504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).