1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

C12H16N2O3 — CID 43211084

IUPAC1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC2C(=O)O)n1C
InChIInChI=1S/C12H16N2O3/c1-8-5-6-9(13(8)2)11(15)14-7-3-4-10(14)12(16)17/h5-6,10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyYLZOVPSLRSXLPY-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.02
Rot. Bonds2

About 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43211084) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43211084
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(=O)N2CCCC2C(=O)O)n1C
InChIInChI=1S/C12H16N2O3/c1-8-5-6-9(13(8)2)11(15)14-7-3-4-10(14)12(16)17/h5-6,10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyYLZOVPSLRSXLPY-UHFFFAOYSA-N
XLogP1.02
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 55006109
tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 81000153
(1,5-dimethylpyrrol-2-yl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484841
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403
(2S,3aS,7aR)-1-(1,5-dimethylpyrrole-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 124818029
(2S)-1-(2,6-difluoro-3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 82815286
1-[5-(2-carboxypyrrolidine-1-carbonyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 22717277
(2R)-1-[4-[(2R)-2-acetylpyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 59403363
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
1-(3-fluoro-4-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 16775996
1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43356010
1-(2,4,6-trimethylbenzoyl)pyrrolidine-2-carboxylic acid
CID 15324304

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 43211084) is 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is Cc1ccc(C(=O)N2CCCC2C(=O)O)n1C.
What is the InChIKey of 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is YLZOVPSLRSXLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-6-9(13(8)2)11(15)14-7-3-4-10(14)12(16)17/h5-6,10H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43211084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).