(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid

C15H18N2O3 — CID 61365066

IUPAC(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)CC1CCCN1
InChIInChI=1S/C15H18N2O3/c18-14(9-11-5-3-7-16-11)17-12-6-2-1-4-10(12)8-13(17)15(19)20/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyGLHNCENIXMAYOI-YUZLPWPTSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds3

About (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid

(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 61365066) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID61365066
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2N1C(=O)CC1CCCN1
InChIInChI=1S/C15H18N2O3/c18-14(9-11-5-3-7-16-11)17-12-6-2-1-4-10(12)8-13(17)15(19)20/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1
InChIKeyGLHNCENIXMAYOI-YUZLPWPTSA-N
XLogP1.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-2,3-dihydroindol-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119669450
(2S)-1-(azepane-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 64563855
(2S)-1-(2-chloroacetyl)-2,3-dihydroindole-2-carboxylic acid
CID 70127349
1-[2-(1-aminocyclobutyl)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79854015
1-(3-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 78967661
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-(2,2,2-trifluoroethylamino)acetyl]-2,3-dihydroindole-2-carboxylic acid
CID 79264391
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(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-[(E)-3-phenylprop-2-enoyl]-2,3-dihydroindole-2-carboxylic acid
CID 10108440
1-heptanoyl-2,3-dihydroindole-2-carboxylic acid
CID 43359818

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid (CID 61365066) is (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2N1C(=O)CC1CCCN1.
What is the InChIKey of (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is GLHNCENIXMAYOI-YUZLPWPTSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14(9-11-5-3-7-16-11)17-12-6-2-1-4-10(12)8-13(17)15(19)20/h1-2,4,6,11,13,16H,3,5,7-9H2,(H,19,20)/t11?,13-/m0/s1.
What are the key properties of (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid?
(2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-pyrrolidin-2-ylacetyl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 61365066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).