1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid

C16H20N2O3 — CID 80567318

IUPAC1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C(=O)N1CCCC1)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C16H20N2O3/c1-11(15(19)17-8-4-5-9-17)18-13-7-3-2-6-12(13)10-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyQSFPWWFADKJGNY-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.51
Rot. Bonds3

About 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid

1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80567318) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid
PubChem CID80567318
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C(=O)N1CCCC1)N1c2ccccc2CC1C(=O)O
InChIInChI=1S/C16H20N2O3/c1-11(15(19)17-8-4-5-9-17)18-13-7-3-2-6-12(13)10-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21)
InChIKeyQSFPWWFADKJGNY-UHFFFAOYSA-N
XLogP1.51
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]-2,3-dihydroindole-2-carboxylic acid
CID 80566967
1-[1-(ethylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-2-carboxylic acid
CID 80566806
1-[(2S)-2-aminopropanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 78967658
1-(2-bromopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 18457697
(2S)-1-(2-aminopropanoyl)-2,3-dihydroindole-2-carboxylic acid
CID 61160187
(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
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
(2S)-1-[2-(aminomethyl)-3-methylbutanoyl]-2,3-dihydroindole-2-carboxylic acid
CID 65229510
1-acetyl-2,3-dihydroindole-2-carboxylic acid
CID 10058771
(2R)-1-propan-2-yloxycarbonyl-2,3-dihydroindole-2-carboxylic acid
CID 67873825
(2S)-1-[(4S)-1,4-diamino-1,3-dioxohexan-2-yl]-2,3-dihydroindole-2-carboxylic acid
CID 87962897

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid (CID 80567318) is 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid is CC(C(=O)N1CCCC1)N1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is QSFPWWFADKJGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(15(19)17-8-4-5-9-17)18-13-7-3-2-6-12(13)10-14(18)16(20)21/h2-3,6-7,11,14H,4-5,8-10H2,1H3,(H,20,21).
What are the key properties of 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid?
1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80567318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).