2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid

C14H24N4O2 — CID 129096061

IUPAC2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESCc1nc(C2CCCN2C(=O)O)n(CCN(C)C)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)17(9-8-16(3)4)13(15-10)12-6-5-7-18(12)14(19)20/h12H,5-9H2,1-4H3,(H,19,20)
InChIKeyNDJLBKFVNFFRET-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.88
Rot. Bonds4

About 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid

2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 129096061) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID129096061
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESCc1nc(C2CCCN2C(=O)O)n(CCN(C)C)c1C
InChIInChI=1S/C14H24N4O2/c1-10-11(2)17(9-8-16(3)4)13(15-10)12-6-5-7-18(12)14(19)20/h12H,5-9H2,1-4H3,(H,19,20)
InChIKeyNDJLBKFVNFFRET-UHFFFAOYSA-N
XLogP1.88
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)piperidine-1-carboxylic acid
CID 142773311
N,N-dimethyl-2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 136519378
2-[2-(dimethylamino)phenyl]pyrrolidine-1-carboxylic acid
CID 175376413
2-[8-(1-hydroxyethyl)-3,6-dimethyl-4-oxoquinazolin-2-yl]pyrrolidine-1-carboxylic acid
CID 170167650
2,3-dimethyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole-7-carboxylic acid
CID 83828167
4-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021330
2-(5,6-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)pyrrolidine-1-carboxylic acid
CID 135319473
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
2-[2-(dimethylamino)ethylsulfanyl]-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 154798972
(2S)-2-[5-[(E)-4-[2-[(2S)-1-carboxypyrrolidin-2-yl]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4-oxobut-2-enoyl]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 88868439
1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119872644

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid (CID 129096061) is 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid is Cc1nc(C2CCCN2C(=O)O)n(CCN(C)C)c1C.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is NDJLBKFVNFFRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-11(2)17(9-8-16(3)4)13(15-10)12-6-5-7-18(12)14(19)20/h12H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid?
2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 280.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]-4,5-dimethylimidazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 129096061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).