5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid

C14H16N2O3 — CID 117404845

IUPAC5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCN1C(=O)Cc2ccc(C3CC(C(=O)O)CN3)cc21
InChIInChI=1S/C14H16N2O3/c1-16-12-5-8(2-3-9(12)6-13(16)17)11-4-10(7-15-11)14(18)19/h2-3,5,10-11,15H,4,6-7H2,1H3,(H,18,19)
InChIKeyXMCQHQUAUCGLQE-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.94
Rot. Bonds2

About 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid

5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 117404845) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID117404845
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid
SMILESCN1C(=O)Cc2ccc(C3CC(C(=O)O)CN3)cc21
InChIInChI=1S/C14H16N2O3/c1-16-12-5-8(2-3-9(12)6-13(16)17)11-4-10(7-15-11)14(18)19/h2-3,5,10-11,15H,4,6-7H2,1H3,(H,18,19)
InChIKeyXMCQHQUAUCGLQE-UHFFFAOYSA-N
XLogP0.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,4-dimethyl-3-oxo-1,4-benzoxazin-6-yl)pyrrolidine-3-carboxylic acid
CID 117469023
5-(4-methyl-2-oxo-1,3-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117440154
5-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxylic acid
CID 117409839
5-[4-(1-methylazetidin-3-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117405334
5-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)pyrrolidine-3-carboxylic acid
CID 117439869
5-(4-methyl-3-methylsulfanylphenyl)pyrrolidine-3-carboxylic acid
CID 117381968
5-(4-bromophenyl)pyrrolidine-3-carboxylic acid
CID 82625541
5-(3-ethyl-4-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117346736
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-[3-(3-methyl-2-oxoimidazol-1-yl)phenyl]pyrrolidine-3-carboxylic acid
CID 117463562
5-(1H-indol-6-yl)pyrrolidine-3-carboxylic acid
CID 117332582
5-(4-bromo-3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 117464706

Frequently Asked Questions

What is the IUPAC name of 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid (CID 117404845) is 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid is CN1C(=O)Cc2ccc(C3CC(C(=O)O)CN3)cc21.
What is the InChIKey of 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is XMCQHQUAUCGLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-16-12-5-8(2-3-9(12)6-13(16)17)11-4-10(7-15-11)14(18)19/h2-3,5,10-11,15H,4,6-7H2,1H3,(H,18,19).
What are the key properties of 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid?
5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methyl-2-oxo-3H-indol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117404845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).