1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid

C13H13NO3 — CID 115038140

IUPAC1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CC2)c2ccc(O)cc12
InChIInChI=1S/C13H13NO3/c1-7-10-6-9(15)4-5-11(10)14(8-2-3-8)12(7)13(16)17/h4-6,8,15H,2-3H2,1H3,(H,16,17)
InChIKeyUILZFUZSHPUUFQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.69
Rot. Bonds2

About 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid

1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid (PubChem CID 115038140) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
PubChem CID115038140
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C2CC2)c2ccc(O)cc12
InChIInChI=1S/C13H13NO3/c1-7-10-6-9(15)4-5-11(10)14(8-2-3-8)12(7)13(16)17/h4-6,8,15H,2-3H2,1H3,(H,16,17)
InChIKeyUILZFUZSHPUUFQ-UHFFFAOYSA-N
XLogP2.69
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
1-ethyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 105473665
4-bromo-1-cyclopropyl-3-methylindole-2-carboxylic acid
CID 115053126
1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250430
1-(6-bromo-1-cyclopropyl-3-methylindol-2-yl)ethanone
CID 115052933
1-cyclopropyl-6-hydroxybenzimidazole-2-carboxylic acid
CID 83858260
1-cyclooctyl-2-(4-ethoxyphenyl)-3-methylindole-5-carboxylic acid;pentane
CID 142999634
ethyl 2-(5-hydroxy-2-methyl-1-piperidin-4-ylindol-3-yl)acetate
CID 70878289
5-cyclopropyl-3,8-dihydroxy-9-methylphenanthridin-6-one
CID 164598275
5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82250951
1-(1-cyclopropyl-6-hydroxybenzimidazol-2-yl)ethanone
CID 83858201
5-tert-butyl-1,3-dimethylindole-2-carboxylic acid
CID 82497925

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid (CID 115038140) is 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid is Cc1c(C(=O)O)n(C2CC2)c2ccc(O)cc12.
What is the InChIKey of 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid?
The InChIKey is UILZFUZSHPUUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-7-10-6-9(15)4-5-11(10)14(8-2-3-8)12(7)13(16)17/h4-6,8,15H,2-3H2,1H3,(H,16,17).
What are the key properties of 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid?
1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid has a molecular weight of 231.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid is sourced from PubChem (CID 115038140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).