1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 80572434

IUPAC1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H18N2O4/c18-10-6-13(15(20)21)17(8-10)14(19)5-9-7-16-12-4-2-1-3-11(9)12/h1-4,9-10,13,16,18H,5-8H2,(H,20,21)
InChIKeyYERMMDWHIYRWNP-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.63
Rot. Bonds3

About 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 80572434) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID80572434
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)CC1CNc2ccccc21
InChIInChI=1S/C15H18N2O4/c18-10-6-13(15(20)21)17(8-10)14(19)5-9-7-16-12-4-2-1-3-11(9)12/h1-4,9-10,13,16,18H,5-8H2,(H,20,21)
InChIKeyYERMMDWHIYRWNP-UHFFFAOYSA-N
XLogP0.63
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydro-1H-indol-3-yl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217538
2-(2,3-dihydro-1H-indol-3-yl)-1-(2,5-dimethylpiperidin-1-yl)ethanone
CID 80573410
(2S,4S)-4-hydroxy-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 64714756
(2S,4R)-4-hydroxy-1-[3-(2-oxo-1-pyridinyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 63842998
2-(2,3-dihydro-1H-indol-3-yl)-1-(3-methylmorpholin-4-yl)ethanone
CID 80573193
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]acetic acid
CID 80573099
(2S,4R)-1-[2-(azetidin-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64610216
4-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]pentanoic acid
CID 80573426
(2R,4R)-4-hydroxy-1-(4-phenylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 79000297
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362
(2S,4R)-4-hydroxy-1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carboxylic acid
CID 30118146

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 80572434) is 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)CC1CNc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is YERMMDWHIYRWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-10-6-13(15(20)21)17(8-10)14(19)5-9-7-16-12-4-2-1-3-11(9)12/h1-4,9-10,13,16,18H,5-8H2,(H,20,21).
What are the key properties of 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-indol-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 80572434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).