(2S)-2,3-dihydro-1H-indole-2-carboxylic acid

C9H9NO2 — CID 2733920

IUPAC(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
InChIKeyQNRXNRGSOJZINA-QMMMGPOBSA-N
MW163.18 g/mol
LogP1.11
Rot. Bonds1

About (2S)-2,3-dihydro-1H-indole-2-carboxylic acid

(2S)-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 2733920) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is (2S)-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID2733920
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name(2S)-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1
InChIKeyQNRXNRGSOJZINA-QMMMGPOBSA-N
XLogP1.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of (2S)-2,3-dihydro-1H-indole-2-carboxylic acid (CID 2733920) is (2S)-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (2S)-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for (2S)-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is QNRXNRGSOJZINA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h1-4,8,10H,5H2,(H,11,12)/t8-/m0/s1.
What are the key properties of (2S)-2,3-dihydro-1H-indole-2-carboxylic acid?
(2S)-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 163.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 2733920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).