3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid

C16H21N3O2 — CID 63148611

IUPAC3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2cn3cccc(C)c3n2)C1
InChIInChI=1S/C16H21N3O2/c1-3-16(15(20)21)6-8-18(11-16)9-13-10-19-7-4-5-12(2)14(19)17-13/h4-5,7,10H,3,6,8-9,11H2,1-2H3,(H,20,21)
InChIKeyVIWPRVKVTANXMD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds4

About 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid

3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid (PubChem CID 63148611) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
PubChem CID63148611
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(Cc2cn3cccc(C)c3n2)C1
InChIInChI=1S/C16H21N3O2/c1-3-16(15(20)21)6-8-18(11-16)9-13-10-19-7-4-5-12(2)14(19)17-13/h4-5,7,10H,3,6,8-9,11H2,1-2H3,(H,20,21)
InChIKeyVIWPRVKVTANXMD-UHFFFAOYSA-N
XLogP2.33
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 53555
CID 53555
CID 87284
CID 87284
CID 916222
CID 916222
CID 16195020
CID 16195020
CID 326092
CID 326092
CID 86699098
CID 86699098
CID 89055
CID 89055
CID 326089
CID 326089
CID 3242115
CID 3242115
CID 5310449
CID 5310449
CID 90655310
CID 90655310
CID 87286
CID 87286

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid (CID 63148611) is 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(Cc2cn3cccc(C)c3n2)C1.
What is the InChIKey of 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VIWPRVKVTANXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-16(15(20)21)6-8-18(11-16)9-13-10-19-7-4-5-12(2)14(19)17-13/h4-5,7,10H,3,6,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid?
3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63148611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).