(1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C22H24N4O2 — CID 6353643

About (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

(1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 6353643) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 6353643
• Molecular Formula: C22H24N4O2
• Molecular Weight: 376.46 g/mol
• Exact Mass: 376.19
• IUPAC Name: (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
• InChI: InChI=1S/C22H24N4O2/c23-18(9-15-10-24-19-5-2-1-4-17(15)19)22(28)25-11-14-8-16(13-25)20-6-3-7-21(27)26(20)12-14/h1-7,10,14,16,18,24H,8-9,11-13,23H2/t14-,16+,18-/m0/s1
• InChIKey: QYMGCCUKWTVJAV-LESCRADOSA-N
• XLogP: 1.85
• TPSA: 84.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.46
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 6353643) is (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2.

What is the InChIKey of (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is QYMGCCUKWTVJAV-LESCRADOSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-18(9-15-10-24-19-5-2-1-4-17(15)19)22(28)25-11-14-8-16(13-25)20-6-3-7-21(27)26(20)12-14/h1-7,10,14,16,18,24H,8-9,11-13,23H2/t14-,16+,18-/m0/s1.

What are the key properties of (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

(1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 376.46 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9S)-11-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 6353643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).