2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid

C14H17NO4 — CID 102711222

IUPAC2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
SMILESCC(C)OCCN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO4/c1-9(2)19-6-5-15-12-4-3-10(14(17)18)7-11(12)8-13(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyVLXHFMNOSMUJJM-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.70
Rot. Bonds5

About 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid

2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid (PubChem CID 102711222) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
PubChem CID102711222
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid
SMILESCC(C)OCCN1C(=O)Cc2cc(C(=O)O)ccc21
InChIInChI=1S/C14H17NO4/c1-9(2)19-6-5-15-12-4-3-10(14(17)18)7-11(12)8-13(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyVLXHFMNOSMUJJM-UHFFFAOYSA-N
XLogP1.70
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711203
1-(3-methoxypropyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711072
1-[2-(2-methylpropoxy)ethyl]-2-oxo-3H-indole-6-carboxylic acid
CID 106453920
1-(2-methoxyethyl)-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711328
1-(2-methylprop-2-enyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711163
1-(2-amino-2-oxoethyl)-2-oxo-3H-indole-5-carboxylic acid
CID 102711155
4-[(5-acetyl-2-oxo-3H-indol-1-yl)methyl]benzoic acid
CID 84758253
1-(2-propan-2-yloxyethyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382494
1-benzyl-2-oxo-N-propan-2-yl-3H-indole-5-carboxamide
CID 71840675
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711144
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-oxo-3H-indole-5-carboxylic acid
CID 102711143
5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
CID 53014656

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid?
The IUPAC name of 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid (CID 102711222) is 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid?
The canonical SMILES for 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid is CC(C)OCCN1C(=O)Cc2cc(C(=O)O)ccc21.
What is the InChIKey of 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid?
The InChIKey is VLXHFMNOSMUJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9(2)19-6-5-15-12-4-3-10(14(17)18)7-11(12)8-13(15)16/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid?
2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(2-propan-2-yloxyethyl)-3H-indole-5-carboxylic acid is sourced from PubChem (CID 102711222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).