(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid

C22H25NO3 — CID 25143055

About (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid

(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid (PubChem CID 25143055) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid.

Molecular Properties

• Compound Name: (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
• PubChem CID: 25143055
• Molecular Formula: C22H25NO3
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.18
• IUPAC Name: (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
• SMILES: N[C@H]1CCc2ccccc21.O=C(O)C[C@@H]1CCc2ccc3c(c21)CCO3
• InChI: InChI=1S/C13H14O3.C9H11N/c14-12(15)7-9-2-1-8-3-4-11-10(13(8)9)5-6-16-11;10-9-6-5-7-3-1-2-4-8(7)9/h3-4,9H,1-2,5-7H2,(H,14,15);1-4,9H,5-6,10H2/t2*9-/m00/s1
• InChIKey: PDHHYVJEQXHXGU-XFNAGHOKSA-N
• XLogP: 3.76
• TPSA: 72.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid?

The IUPAC name of (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid (CID 25143055) is (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid.

What is the SMILES notation for (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid?

The canonical SMILES for (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid is N[C@H]1CCc2ccccc21.O=C(O)C[C@@H]1CCc2ccc3c(c21)CCO3.

What is the InChIKey of (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid?

The InChIKey is PDHHYVJEQXHXGU-XFNAGHOKSA-N. The full InChI is InChI=1S/C13H14O3.C9H11N/c14-12(15)7-9-2-1-8-3-4-11-10(13(8)9)5-6-16-11;10-9-6-5-7-3-1-2-4-8(7)9/h3-4,9H,1-2,5-7H2,(H,14,15);1-4,9H,5-6,10H2/t2*9-/m00/s1.

What are the key properties of (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid?

(1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid has a molecular weight of 351.45 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2,3-dihydro-1H-inden-1-amine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid is sourced from PubChem (CID 25143055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).