(2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid

C16H15NO2 — CID 67336687

IUPAC(2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid
SMILESN[C@@H](CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C16H15NO2/c17-15(16(18)19)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9,17H2,(H,18,19)/t15-/m0/s1
InChIKeyFMXBCLXZHKJHEU-HNNXBMFYSA-N
MW253.30 g/mol
LogP2.60
Rot. Bonds3

About (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid

(2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid (PubChem CID 67336687) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid
PubChem CID67336687
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid
SMILESN[C@@H](CC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C16H15NO2/c17-15(16(18)19)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9,17H2,(H,18,19)/t15-/m0/s1
InChIKeyFMXBCLXZHKJHEU-HNNXBMFYSA-N
XLogP2.60
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid (CID 67336687) is (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid is N[C@@H](CC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid?
The InChIKey is FMXBCLXZHKJHEU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15NO2/c17-15(16(18)19)9-14-12-7-3-1-5-10(12)11-6-2-4-8-13(11)14/h1-8,14-15H,9,17H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid?
(2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid has a molecular weight of 253.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(9H-fluoren-9-yl)propanoic acid is sourced from PubChem (CID 67336687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).