5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

C29H27NO7 — CID 10278700

About 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid

5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid (PubChem CID 10278700) has the molecular formula C29H27NO7 and a molecular weight of 501.54 g/mol. Its IUPAC name is 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
• PubChem CID: 10278700
• Molecular Formula: C29H27NO7
• Molecular Weight: 501.54 g/mol
• Exact Mass: 501.18
• IUPAC Name: 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
• SMILES: COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCC(=O)O)ccc32)c1
• InChI: InChI=1S/C29H27NO7/c1-35-22-4-2-3-19(13-22)15-30-25-12-11-23(37-17-26(31)32)14-24(25)27(28(30)29(33)34)20-7-9-21(10-8-20)36-16-18-5-6-18/h2-4,7-14,18H,5-6,15-17H2,1H3,(H,31,32)(H,33,34)
• InChIKey: UPSXMCGKKHCGQJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 107.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.54
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?

The IUPAC name of 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid (CID 10278700) is 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid.

What is the SMILES notation for 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?

The canonical SMILES for 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid is COc1cccc(Cn2c(C(=O)O)c(-c3ccc(OCC4CC4)cc3)c3cc(OCC(=O)O)ccc32)c1.

What is the InChIKey of 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?

The InChIKey is UPSXMCGKKHCGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO7/c1-35-22-4-2-3-19(13-22)15-30-25-12-11-23(37-17-26(31)32)14-24(25)27(28(30)29(33)34)20-7-9-21(10-8-20)36-16-18-5-6-18/h2-4,7-14,18H,5-6,15-17H2,1H3,(H,31,32)(H,33,34).

What are the key properties of 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid?

5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid has a molecular weight of 501.54 g/mol, XLogP of 5.32, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(carboxymethoxy)-3-[4-(cyclopropylmethoxy)phenyl]-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid is sourced from PubChem (CID 10278700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).