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

C12H14N2O3 — CID 78967658

IUPAC1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(13)11(15)14-9-5-3-2-4-8(9)6-10(14)12(16)17/h2-5,7,10H,6,13H2,1H3,(H,16,17)/t7-,10?/m0/s1
InChIKeyNXKLFGRJFARTBP-BYDSUWOYSA-N
MW234.26 g/mol
LogP0.38
Rot. Bonds2

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

1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 78967658) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID78967658
Molecular FormulaC12H14N2O3
Molecular Weight234.26 g/mol
Exact Mass234.10
IUPAC Name1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
SMILESC[C@H](N)C(=O)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C12H14N2O3/c1-7(13)11(15)14-9-5-3-2-4-8(9)6-10(14)12(16)17/h2-5,7,10H,6,13H2,1H3,(H,16,17)/t7-,10?/m0/s1
InChIKeyNXKLFGRJFARTBP-BYDSUWOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
1-(2-aminopentanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967654
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
(2S)-1-[(2R)-2-aminopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 103870802
(2S)-1-[(2R,4R)-4-carboxy-2-methylpentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105688
1-(4-carboxy-2-methylbutanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 13105676
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
1-(2-amino-2-thiophen-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 115286864
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
(2S)-1-[(2R)-5-ethoxy-2-methyl-5-oxopentanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 13105695

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid (CID 78967658) is 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid is C[C@H](N)C(=O)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is NXKLFGRJFARTBP-BYDSUWOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(13)11(15)14-9-5-3-2-4-8(9)6-10(14)12(16)17/h2-5,7,10H,6,13H2,1H3,(H,16,17)/t7-,10?/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid?
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 234.26 g/mol, XLogP of 0.38, 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-2-carboxylic acid is sourced from PubChem (CID 78967658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).