2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid

C10H11NO3 — CID 175545746

IUPAC2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1(CO)Cc2ccccc2N1
InChIInChI=1S/C10H11NO3/c12-6-10(9(13)14)5-7-3-1-2-4-8(7)11-10/h1-4,11-12H,5-6H2,(H,13,14)
InChIKeyMJAQHYPBJQKKEH-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.47
Rot. Bonds2

About 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid

2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid (PubChem CID 175545746) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
PubChem CID175545746
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1(CO)Cc2ccccc2N1
InChIInChI=1S/C10H11NO3/c12-6-10(9(13)14)5-7-3-1-2-4-8(7)11-10/h1-4,11-12H,5-6H2,(H,13,14)
InChIKeyMJAQHYPBJQKKEH-UHFFFAOYSA-N
XLogP0.47
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid (CID 175545746) is 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid is O=C(O)C1(CO)Cc2ccccc2N1.
What is the InChIKey of 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid?
The InChIKey is MJAQHYPBJQKKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-10(9(13)14)5-7-3-1-2-4-8(7)11-10/h1-4,11-12H,5-6H2,(H,13,14).
What are the key properties of 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid?
2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 175545746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).