2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid

C97H115N7O21 — CID 158724779

About 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid

2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid (PubChem CID 158724779) has the molecular formula C97H115N7O21 and a molecular weight of 1715.01 g/mol. Its IUPAC name is 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid
• PubChem CID: 158724779
• Molecular Formula: C97H115N7O21
• Molecular Weight: 1715.01 g/mol
• Exact Mass: 1713.81
• IUPAC Name: 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid
• SMILES: CCc1cc2c(CC(=O)O)c(CO)ccc2n1C.Cc1cc2c(/C=C/C(=O)O)c(CO)ccc2n1C.Cc1cc2c(C(=O)O)c(CO)ccc2n1C.Cc1cc2c(CCC(=O)O)c(CO)ccc2n1C.Cc1cc2c(CCCC(=O)O)c(CO)ccc2n1C.Cc1cc2c(CCCCC(=O)O)c(CO)ccc2n1C.Cn1ccc2c(CC(=O)O)c(CO)ccc21
• InChI: InChI=1S/C16H21NO3.C15H19NO3.C14H17NO3.C14H15NO3.C14H17NO3.2C12H13NO3/c1-11-9-14-13(5-3-4-6-16(19)20)12(10-18)7-8-15(14)17(11)2;1-10-8-13-12(4-3-5-15(18)19)11(9-17)6-7-14(13)16(10)2;2*1-9-7-12-11(4-6-14(17)18)10(8-16)3-5-13(12)15(9)2;1-3-10-6-12-11(7-14(17)18)9(8-16)4-5-13(12)15(10)2;1-7-5-9-10(13(7)2)4-3-8(6-14)11(9)12(15)16;1-13-5-4-9-10(6-12(15)16)8(7-14)2-3-11(9)13/h7-9,18H,3-6,10H2,1-2H3,(H,19,20);6-8,17H,3-5,9H2,1-2H3,(H,18,19);3,5,7,16H,4,6,8H2,1-2H3,(H,17,18);3-7,16H,8H2,1-2H3,(H,17,18);4-6,16H,3,7-8H2,1-2H3,(H,17,18);3-5,14H,6H2,1-2H3,(H,15,16);2-5,14H,6-7H2,1H3,(H,15,16)/b;;;6-4+
• InChIKey: IKJARDLKVPHJTM-IHWZUFQISA-N
• XLogP: 14.07
• TPSA: 437.22 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 21
• Rotatable Bonds: 27
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1715.01
LogP ≤ 5	14.07
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid?

The IUPAC name of 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid (CID 158724779) is 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid.

What is the SMILES notation for 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid?

The canonical SMILES for 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid is CCc1cc2c(CC(=O)O)c(CO)ccc2n1C.Cc1cc2c(/C=C/C(=O)O)c(CO)ccc2n1C.Cc1cc2c(C(=O)O)c(CO)ccc2n1C.Cc1cc2c(CCC(=O)O)c(CO)ccc2n1C.Cc1cc2c(CCCC(=O)O)c(CO)ccc2n1C.Cc1cc2c(CCCCC(=O)O)c(CO)ccc2n1C.Cn1ccc2c(CC(=O)O)c(CO)ccc21.

What is the InChIKey of 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid?

The InChIKey is IKJARDLKVPHJTM-IHWZUFQISA-N. The full InChI is InChI=1S/C16H21NO3.C15H19NO3.C14H17NO3.C14H15NO3.C14H17NO3.2C12H13NO3/c1-11-9-14-13(5-3-4-6-16(19)20)12(10-18)7-8-15(14)17(11)2;1-10-8-13-12(4-3-5-15(18)19)11(9-17)6-7-14(13)16(10)2;2*1-9-7-12-11(4-6-14(17)18)10(8-16)3-5-13(12)15(9)2;1-3-10-6-12-11(7-14(17)18)9(8-16)4-5-13(12)15(10)2;1-7-5-9-10(13(7)2)4-3-8(6-14)11(9)12(15)16;1-13-5-4-9-10(6-12(15)16)8(7-14)2-3-11(9)13/h7-9,18H,3-6,10H2,1-2H3,(H,19,20);6-8,17H,3-5,9H2,1-2H3,(H,18,19);3,5,7,16H,4,6,8H2,1-2H3,(H,17,18);3-7,16H,8H2,1-2H3,(H,17,18);4-6,16H,3,7-8H2,1-2H3,(H,17,18);3-5,14H,6H2,1-2H3,(H,15,16);2-5,14H,6-7H2,1H3,(H,15,16)/b;;;6-4+;;;.

What are the key properties of 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid?

2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid has a molecular weight of 1715.01 g/mol, XLogP of 14.07, 27 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-ethyl-5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid;5-(hydroxymethyl)-1,2-dimethylindole-4-carboxylic acid;4-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]butanoic acid;5-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]pentanoic acid;3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]propanoic acid;(E)-3-[5-(hydroxymethyl)-1,2-dimethylindol-4-yl]prop-2-enoic acid;2-[5-(hydroxymethyl)-1-methylindol-4-yl]acetic acid is sourced from PubChem (CID 158724779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).