2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid

C22H20N2O2 — CID 22117492

IUPAC2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid
SMILESNCC(N)(C(=O)O)C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H20N2O2/c23-14-21(24,20(25)26)22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13H,14,23-24H2,(H,25,26)
InChIKeyFTKVNTWGTDJABG-UHFFFAOYSA-N
MW344.41 g/mol
LogP2.74
Rot. Bonds4

About 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid

2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid (PubChem CID 22117492) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid
PubChem CID22117492
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid
SMILESNCC(N)(C(=O)O)C1(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C22H20N2O2/c23-14-21(24,20(25)26)22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13H,14,23-24H2,(H,25,26)
InChIKeyFTKVNTWGTDJABG-UHFFFAOYSA-N
XLogP2.74
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid?
The IUPAC name of 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid (CID 22117492) is 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid.
What is the SMILES notation for 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid?
The canonical SMILES for 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid is NCC(N)(C(=O)O)C1(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid?
The InChIKey is FTKVNTWGTDJABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c23-14-21(24,20(25)26)22(15-8-2-1-3-9-15)18-12-6-4-10-16(18)17-11-5-7-13-19(17)22/h1-13H,14,23-24H2,(H,25,26).
What are the key properties of 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid?
2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid has a molecular weight of 344.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-2-(9-phenylfluoren-9-yl)propanoic acid is sourced from PubChem (CID 22117492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).