2-hydroxy-2-(1H-indol-7-yl)acetic acid

C10H9NO3 — CID 82403712

IUPAC2-hydroxy-2-(1H-indol-7-yl)acetic acid
SMILESO=C(O)C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C10H9NO3/c12-9(10(13)14)7-3-1-2-6-4-5-11-8(6)7/h1-5,9,11-12H,(H,13,14)
InChIKeyMTXVUAMOHQOSDR-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.29
Rot. Bonds2

About 2-hydroxy-2-(1H-indol-7-yl)acetic acid

2-hydroxy-2-(1H-indol-7-yl)acetic acid (PubChem CID 82403712) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-hydroxy-2-(1H-indol-7-yl)acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-(1H-indol-7-yl)acetic acid
PubChem CID82403712
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-hydroxy-2-(1H-indol-7-yl)acetic acid
SMILESO=C(O)C(O)c1cccc2cc[nH]c12
InChIInChI=1S/C10H9NO3/c12-9(10(13)14)7-3-1-2-6-4-5-11-8(6)7/h1-5,9,11-12H,(H,13,14)
InChIKeyMTXVUAMOHQOSDR-UHFFFAOYSA-N
XLogP1.29
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Indole-3-Butyric Acid
CID 8617
Indole-3-Acetic Acid
CID 802
Indole-3-Carbinol
CID 3712
1H-Indole-3-propanoic acid
CID 3744
Indole-3-Carboxylic Acid
CID 69867
Indole-3-pyruvic acid
CID 803
3-(Hydroxyacetyl)Indole
CID 200631
Indole-3-lactic acid
CID 92904
Indole-3-acetate
CID 801
3-(Indol-3-YL) lactate
CID 676157
1H-Indole-7-carboxylic acid
CID 74281
1H-Indole-5-Carboxylic Acid
CID 74280

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1H-indol-7-yl)acetic acid?
The IUPAC name of 2-hydroxy-2-(1H-indol-7-yl)acetic acid (CID 82403712) is 2-hydroxy-2-(1H-indol-7-yl)acetic acid.
What is the SMILES notation for 2-hydroxy-2-(1H-indol-7-yl)acetic acid?
The canonical SMILES for 2-hydroxy-2-(1H-indol-7-yl)acetic acid is O=C(O)C(O)c1cccc2cc[nH]c12.
What is the InChIKey of 2-hydroxy-2-(1H-indol-7-yl)acetic acid?
The InChIKey is MTXVUAMOHQOSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9(10(13)14)7-3-1-2-6-4-5-11-8(6)7/h1-5,9,11-12H,(H,13,14).
What are the key properties of 2-hydroxy-2-(1H-indol-7-yl)acetic acid?
2-hydroxy-2-(1H-indol-7-yl)acetic acid has a molecular weight of 191.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1H-indol-7-yl)acetic acid is sourced from PubChem (CID 82403712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).