2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

C14H20N2O3 — CID 115270475

IUPAC2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C14H20N2O3/c1-14(13(18)19)8-4-10-16(14)12(17)7-2-5-11-6-3-9-15-11/h3,6,9,15H,2,4-5,7-8,10H2,1H3,(H,18,19)
InChIKeyFWYOJHFLULLBKV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.80
Rot. Bonds5

About 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 115270475) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID115270475
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)CCCc1ccc[nH]1
InChIInChI=1S/C14H20N2O3/c1-14(13(18)19)8-4-10-16(14)12(17)7-2-5-11-6-3-9-15-11/h3,6,9,15H,2,4-5,7-8,10H2,1H3,(H,18,19)
InChIKeyFWYOJHFLULLBKV-UHFFFAOYSA-N
XLogP1.80
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035
1-(5,5-dimethylhexanoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 115270474
2-methyl-1-(5-oxo-5-phenylpentanoyl)piperidine-2-carboxylic acid
CID 91839356
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115277163
1-(5,5-dimethylhexanoyl)-2-methylpiperidine-2-carboxylic acid
CID 115270714
1-(5-aminopentanoyl)-2-methylpiperidine-2-carboxylic acid
CID 113430942
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115273150
1-(3-hydroxypiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115277012

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid (CID 115270475) is 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)CCCc1ccc[nH]1.
What is the InChIKey of 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FWYOJHFLULLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(13(18)19)8-4-10-16(14)12(17)7-2-5-11-6-3-9-15-11/h3,6,9,15H,2,4-5,7-8,10H2,1H3,(H,18,19).
What are the key properties of 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115270475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).