1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid

C12H14N2O3 — CID 113382385

IUPAC1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
SMILESC[C@H](N)C(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H14N2O3/c1-7(13)11(15)14-5-4-8-2-3-9(12(16)17)6-10(8)14/h2-3,6-7H,4-5,13H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeyRYCNRINPQNBIMP-ZETCQYMHSA-N
MW234.26 g/mol
LogP0.62
Rot. Bonds2

About 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid

1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid (PubChem CID 113382385) has the molecular formula C12H14N2O3 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
PubChem CID113382385
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid
SMILESC[C@H](N)C(=O)N1CCc2ccc(C(=O)O)cc21
InChIInChI=1S/C12H14N2O3/c1-7(13)11(15)14-5-4-8-2-3-9(12(16)17)6-10(8)14/h2-3,6-7H,4-5,13H2,1H3,(H,16,17)/t7-/m0/s1
InChIKeyRYCNRINPQNBIMP-ZETCQYMHSA-N
XLogP0.62
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
1-acetyl-2,3-dihydroindole-6-carboxylic acid
CID 82609550
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
(2S)-2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)propan-1-one
CID 119280335
1-[(2S)-2-aminopropanoyl]-N,N-dimethyl-2,3-dihydroindole-6-sulfonamide
CID 119324906
1-(2-methylsulfonylacetyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382365
2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one
CID 83624052
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one;hydrochloride
CID 119310117
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)propan-1-one;hydrochloride
CID 119310076
1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
CID 106826429
1-(6-chloro-2,3-dihydroindol-1-yl)-2-methylpropan-1-one
CID 135195397

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid (CID 113382385) is 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid is C[C@H](N)C(=O)N1CCc2ccc(C(=O)O)cc21.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid?
The InChIKey is RYCNRINPQNBIMP-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(13)11(15)14-5-4-8-2-3-9(12(16)17)6-10(8)14/h2-3,6-7H,4-5,13H2,1H3,(H,16,17)/t7-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid?
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-6-carboxylic acid is sourced from PubChem (CID 113382385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).