(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

C10H11NO2 — CID 124706559

IUPAC(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCc1cccc2c1C[C@@H](C(=O)O)N2
InChIInChI=1S/C10H11NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-4,9,11H,5H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPMMSMDXONJUVOL-VIFPVBQESA-N
MW177.20 g/mol
LogP1.42
Rot. Bonds1

About (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid

(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 124706559) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID124706559
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESCc1cccc2c1C[C@@H](C(=O)O)N2
InChIInChI=1S/C10H11NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-4,9,11H,5H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyPMMSMDXONJUVOL-VIFPVBQESA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid (CID 124706559) is (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is Cc1cccc2c1C[C@@H](C(=O)O)N2.
What is the InChIKey of (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is PMMSMDXONJUVOL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-3-2-4-8-7(6)5-9(11-8)10(12)13/h2-4,9,11H,5H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid?
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 177.20 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 124706559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).