3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid

C16H20N4O3 — CID 175507815

IUPAC3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid
SMILESNCc1cn2cc(C3CC3)cc(C(O)C3CN(C(=O)O)C3)c2n1
InChIInChI=1S/C16H20N4O3/c17-4-12-8-19-5-10(9-1-2-9)3-13(15(19)18-12)14(21)11-6-20(7-11)16(22)23/h3,5,8-9,11,14,21H,1-2,4,6-7,17H2,(H,22,23)
InChIKeySWIONMZBCQUJSN-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.31
Rot. Bonds4

About 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid

3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid (PubChem CID 175507815) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid
PubChem CID175507815
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid
SMILESNCc1cn2cc(C3CC3)cc(C(O)C3CN(C(=O)O)C3)c2n1
InChIInChI=1S/C16H20N4O3/c17-4-12-8-19-5-10(9-1-2-9)3-13(15(19)18-12)14(21)11-6-20(7-11)16(22)23/h3,5,8-9,11,14,21H,1-2,4,6-7,17H2,(H,22,23)
InChIKeySWIONMZBCQUJSN-UHFFFAOYSA-N
XLogP1.31
TPSA104.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid (CID 175507815) is 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid is NCc1cn2cc(C3CC3)cc(C(O)C3CN(C(=O)O)C3)c2n1.
What is the InChIKey of 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid?
The InChIKey is SWIONMZBCQUJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-4-12-8-19-5-10(9-1-2-9)3-13(15(19)18-12)14(21)11-6-20(7-11)16(22)23/h3,5,8-9,11,14,21H,1-2,4,6-7,17H2,(H,22,23).
What are the key properties of 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid?
3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 175507815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).