2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid

C9H9NO4 — CID 176550245

IUPAC2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cccc2c1NC(O)C2O
InChIInChI=1S/C9H9NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3,7-8,10-12H,(H,13,14)
InChIKeyOZZKOTCDRMJWGE-UHFFFAOYSA-N
MW195.17 g/mol
LogP0.16
Rot. Bonds1

About 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid

2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid (PubChem CID 176550245) has the molecular formula C9H9NO4 and a molecular weight of 195.17 g/mol. Its IUPAC name is 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid
PubChem CID176550245
Molecular FormulaC9H9NO4
Molecular Weight195.17 g/mol
Exact Mass195.05
IUPAC Name2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESO=C(O)c1cccc2c1NC(O)C2O
InChIInChI=1S/C9H9NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3,7-8,10-12H,(H,13,14)
InChIKeyOZZKOTCDRMJWGE-UHFFFAOYSA-N
XLogP0.16
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.17
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5,5a,6,7,8,9,10,10a-octahydrocyclohepta[b]indole-4-carboxylic acid
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3-cyclopropyl-2-methoxybenzoic acid
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(3R)-3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 125041401
3-methyl-2,3-dihydro-1H-indole-7-carboxylic acid
CID 117204169
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CID 3112670
(2S,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551920
(2R,3S)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551926
(2R,3R)-2,3-dimethyl-1,2,3,4-tetrahydroquinoxaline-5-carboxylic acid
CID 42551922
2-(3-hydroxy-6-oxopiperidin-2-yl)benzoic acid
CID 105495827
(1S,2R,10R,11S,12R)-10-phenyl-9-azatetracyclo[10.2.1.02,11.03,8]pentadeca-3(8),4,6-triene-7-carboxylic acid
CID 7114562
cerium;tris(naphthalene-1,5-dicarboxylic acid)
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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid?
The IUPAC name of 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid (CID 176550245) is 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid.
What is the SMILES notation for 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid?
The canonical SMILES for 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid is O=C(O)c1cccc2c1NC(O)C2O.
What is the InChIKey of 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid?
The InChIKey is OZZKOTCDRMJWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4/c11-7-4-2-1-3-5(9(13)14)6(4)10-8(7)12/h1-3,7-8,10-12H,(H,13,14).
What are the key properties of 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid?
2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid has a molecular weight of 195.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2,3-dihydro-1H-indole-7-carboxylic acid is sourced from PubChem (CID 176550245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).