1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid

C12H14N2O3 — CID 78967661

IUPAC1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESNCCC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C12H14N2O3/c13-6-5-11(15)14-9-4-2-1-3-8(9)7-10(14)12(16)17/h1-4,10H,5-7,13H2,(H,16,17)
InChIKeyGLQZLXFTAPPOGX-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.38
Rot. Bonds3

About 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid

1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 78967661) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID78967661
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
SMILESNCCC(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C12H14N2O3/c13-6-5-11(15)14-9-4-2-1-3-8(9)7-10(14)12(16)17/h1-4,10H,5-7,13H2,(H,16,17)
InChIKeyGLQZLXFTAPPOGX-UHFFFAOYSA-N
XLogP0.38
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[[3-(2-carboxy-2,3-dihydroindol-1-yl)-3-oxopropyl]disulfanyl]propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 12764263
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
(2S)-1-(2-ethoxyacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 28779680
1-[3-(oxolan-2-yl)propanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 43172331
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
(2S)-1-[2-(2,2,2-trifluoroethylamino)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79264391
1-[2-(2-methoxyethoxy)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 43359821

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid (CID 78967661) is 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid is NCCC(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is GLQZLXFTAPPOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c13-6-5-11(15)14-9-4-2-1-3-8(9)7-10(14)12(16)17/h1-4,10H,5-7,13H2,(H,16,17).
What are the key properties of 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid?
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 78967661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).