(2S)-2-(anthracen-2-ylamino)propanoic acid

C17H15NO2 — CID 54462508

IUPAC(2S)-2-(anthracen-2-ylamino)propanoic acid
SMILESC[C@H](Nc1ccc2cc3ccccc3cc2c1)C(=O)O
InChIInChI=1S/C17H15NO2/c1-11(17(19)20)18-16-7-6-14-8-12-4-2-3-5-13(12)9-15(14)10-16/h2-11,18H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyXCOUZFXMJXUBNC-NSHDSACASA-N
MW265.31 g/mol
LogP3.88
Rot. Bonds3

About (2S)-2-(anthracen-2-ylamino)propanoic acid

(2S)-2-(anthracen-2-ylamino)propanoic acid (PubChem CID 54462508) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-2-(anthracen-2-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(anthracen-2-ylamino)propanoic acid
PubChem CID54462508
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2S)-2-(anthracen-2-ylamino)propanoic acid
SMILESC[C@H](Nc1ccc2cc3ccccc3cc2c1)C(=O)O
InChIInChI=1S/C17H15NO2/c1-11(17(19)20)18-16-7-6-14-8-12-4-2-3-5-13(12)9-15(14)10-16/h2-11,18H,1H3,(H,19,20)/t11-/m0/s1
InChIKeyXCOUZFXMJXUBNC-NSHDSACASA-N
XLogP3.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2S)-2-(anthracen-2-ylamino)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 (2S)-2-(anthracen-2-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(anthracen-2-ylamino)propanoic acid (CID 54462508) is (2S)-2-(anthracen-2-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(anthracen-2-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(anthracen-2-ylamino)propanoic acid is C[C@H](Nc1ccc2cc3ccccc3cc2c1)C(=O)O.
What is the InChIKey of (2S)-2-(anthracen-2-ylamino)propanoic acid?
The InChIKey is XCOUZFXMJXUBNC-NSHDSACASA-N. The full InChI is InChI=1S/C17H15NO2/c1-11(17(19)20)18-16-7-6-14-8-12-4-2-3-5-13(12)9-15(14)10-16/h2-11,18H,1H3,(H,19,20)/t11-/m0/s1.
What are the key properties of (2S)-2-(anthracen-2-ylamino)propanoic acid?
(2S)-2-(anthracen-2-ylamino)propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(anthracen-2-ylamino)propanoic acid is sourced from PubChem (CID 54462508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).