2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid

C20H16N2O3 — CID 88748048

IUPAC2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid
SMILESO=C(O)C(c1cc2ccccc2[nH]1)(c1cc2ccccc2[nH]1)C1CO1
InChIInChI=1S/C20H16N2O3/c23-19(24)20(18-11-25-18,16-9-12-5-1-3-7-14(12)21-16)17-10-13-6-2-4-8-15(13)22-17/h1-10,18,21-22H,11H2,(H,23,24)
InChIKeyJAIWKYSVFJNZHG-UHFFFAOYSA-N
MW332.36 g/mol
LogP3.42
Rot. Bonds4

About 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid

2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid (PubChem CID 88748048) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid.

Molecular Properties

Compound Name2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid
PubChem CID88748048
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid
SMILESO=C(O)C(c1cc2ccccc2[nH]1)(c1cc2ccccc2[nH]1)C1CO1
InChIInChI=1S/C20H16N2O3/c23-19(24)20(18-11-25-18,16-9-12-5-1-3-7-14(12)21-16)17-10-13-6-2-4-8-15(13)22-17/h1-10,18,21-22H,11H2,(H,23,24)
InChIKeyJAIWKYSVFJNZHG-UHFFFAOYSA-N
XLogP3.42
TPSA81.41 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-2-(1H-indol-2-yl)acetic acid
CID 84723265
2-(1H-indol-2-yl)-2-methylpentanedioic acid
CID 142115470
2-(oxiran-2-yl)-1H-indole
CID 19919203
methyl 2-cyclopentyl-2-hydroxy-2-(1H-indol-2-yl)acetate
CID 141249860
cis-(1R,2S)-2-(1H-indol-2-yl)cyclopropane-1-carboxylic acid
CID 155903939
2-[[benzyl(hydroxy)phosphoryl]amino]-2-(1H-indol-2-yl)propanoic acid
CID 54197699
2-methyl-1H-indole;oxalic acid
CID 161360574
ethane;1H-indole-2-carboxylic acid
CID 91052830
carbamic acid;1H-indol-2-ol
CID 175329326
(2S)-2-cyclopropyl-2-(1H-indole-2-carbonylamino)propanoic acid
CID 93298046
3-hydroxy-1H-quinolin-2-one
CID 818159
3-hydroxy-1H-quinolin-2-one
CID 162237175

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid?
The IUPAC name of 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid (CID 88748048) is 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid.
What is the SMILES notation for 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid?
The canonical SMILES for 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid is O=C(O)C(c1cc2ccccc2[nH]1)(c1cc2ccccc2[nH]1)C1CO1.
What is the InChIKey of 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid?
The InChIKey is JAIWKYSVFJNZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-19(24)20(18-11-25-18,16-9-12-5-1-3-7-14(12)21-16)17-10-13-6-2-4-8-15(13)22-17/h1-10,18,21-22H,11H2,(H,23,24).
What are the key properties of 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid?
2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid has a molecular weight of 332.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(1H-indol-2-yl)-2-(oxiran-2-yl)acetic acid is sourced from PubChem (CID 88748048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).