(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid

C17H20N2O4 — CID 125134746

IUPAC(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C1Cc2cc(CCCC(=O)N3CC[C@@H](C(=O)O)C3)ccc2N1
InChIInChI=1S/C17H20N2O4/c20-15-9-13-8-11(4-5-14(13)18-15)2-1-3-16(21)19-7-6-12(10-19)17(22)23/h4-5,8,12H,1-3,6-7,9-10H2,(H,18,20)(H,22,23)/t12-/m1/s1
InChIKeyNGDMXRJFOFEVNK-GFCCVEGCSA-N
MW316.36 g/mol
LogP1.44
Rot. Bonds5

About (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid

(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 125134746) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
PubChem CID125134746
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
SMILESO=C1Cc2cc(CCCC(=O)N3CC[C@@H](C(=O)O)C3)ccc2N1
InChIInChI=1S/C17H20N2O4/c20-15-9-13-8-11(4-5-14(13)18-15)2-1-3-16(21)19-7-6-12(10-19)17(22)23/h4-5,8,12H,1-3,6-7,9-10H2,(H,18,20)(H,22,23)/t12-/m1/s1
InChIKeyNGDMXRJFOFEVNK-GFCCVEGCSA-N
XLogP1.44
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124620564
1-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxylic acid
CID 82489037
1-[4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355075
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
(3S)-1-[5-(4-methylphenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124696647
(3R)-1-[5-(4-bromophenyl)pentanoyl]pyrrolidine-3-carboxylic acid
CID 124700041
5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 154871792
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 100904249
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
CID 110793835
N-[2-(cycloheptylamino)ethyl]-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 119620576

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid (CID 125134746) is (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid is O=C1Cc2cc(CCCC(=O)N3CC[C@@H](C(=O)O)C3)ccc2N1.
What is the InChIKey of (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is NGDMXRJFOFEVNK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H20N2O4/c20-15-9-13-8-11(4-5-14(13)18-15)2-1-3-16(21)19-7-6-12(10-19)17(22)23/h4-5,8,12H,1-3,6-7,9-10H2,(H,18,20)(H,22,23)/t12-/m1/s1.
What are the key properties of (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid?
(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 125134746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).