(2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid

C15H16N2O3 — CID 125361978

About (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid

(2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid (PubChem CID 125361978) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid.

Molecular Properties

• Compound Name: (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid
• PubChem CID: 125361978
• Molecular Formula: C15H16N2O3
• Molecular Weight: 272.30 g/mol
• Exact Mass: 272.12
• IUPAC Name: (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid
• SMILES: N[C@H](Cc1cc2cccc3c2n(c1=O)CCC3)C(=O)O
• InChI: InChI=1S/C15H16N2O3/c16-12(15(19)20)8-11-7-10-4-1-3-9-5-2-6-17(13(9)10)14(11)18/h1,3-4,7,12H,2,5-6,8,16H2,(H,19,20)/t12-/m1/s1
• InChIKey: BSPIELMLGWFUPR-GFCCVEGCSA-N
• XLogP: 0.90
• TPSA: 85.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	272.30
LogP ≤ 5	0.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid?

The IUPAC name of (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid (CID 125361978) is (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid.

What is the SMILES notation for (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid?

The canonical SMILES for (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid is N[C@H](Cc1cc2cccc3c2n(c1=O)CCC3)C(=O)O.

What is the InChIKey of (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid?

The InChIKey is BSPIELMLGWFUPR-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N2O3/c16-12(15(19)20)8-11-7-10-4-1-3-9-5-2-6-17(13(9)10)14(11)18/h1,3-4,7,12H,2,5-6,8,16H2,(H,19,20)/t12-/m1/s1.

What are the key properties of (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid?

(2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid has a molecular weight of 272.30 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-3-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)propanoic acid is sourced from PubChem (CID 125361978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).