2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

C11H14N2O3 — CID 79364121

IUPAC2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H14N2O3/c1-7-8(11(15)16)4-6-13(7)10(14)9-3-2-5-12-9/h2-3,5,7-8,12H,4,6H2,1H3,(H,15,16)
InChIKeyXHZILJGFKJBKSG-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.95
Rot. Bonds2

About 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 79364121) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID79364121
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H14N2O3/c1-7-8(11(15)16)4-6-13(7)10(14)9-3-2-5-12-9/h2-3,5,7-8,12H,4,6H2,1H3,(H,15,16)
InChIKeyXHZILJGFKJBKSG-UHFFFAOYSA-N
XLogP0.95
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(6-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 79364145
(2R,3S)-2-methylpyrrolidine-1,3-dicarboxylic acid
CID 137367540
2-methyl-1-(6-methylpyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 79363782
[(2R,3R)-2-benzyl-3-methoxypyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 133140606
(2S)-4-hydroxy-1-(1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151805
1-(3-bromo-2-methylbenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364288
(2R,3R)-1-(1H-indole-6-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116493
1-(3,4-dichlorobenzoyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79364499
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1H-pyrrol-2-yl)methanone;hydrochloride
CID 119649627
1-(1-benzofuran-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363980
(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 63910003
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 79364121) is 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)c1ccc[nH]1.
What is the InChIKey of 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is XHZILJGFKJBKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-7-8(11(15)16)4-6-13(7)10(14)9-3-2-5-12-9/h2-3,5,7-8,12H,4,6H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1H-pyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79364121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).