methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate

C12H15N3O2 — CID 99837979

IUPACmethyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
SMILESCOC(=O)[C@@H](C)NCc1cnc2ccccn12
InChIInChI=1S/C12H15N3O2/c1-9(12(16)17-2)13-7-10-8-14-11-5-3-4-6-15(10)11/h3-6,8-9,13H,7H2,1-2H3/t9-/m1/s1
InChIKeyCMMCJTWKQOWFQD-SECBINFHSA-N
MW233.27 g/mol
LogP0.99
Rot. Bonds4

About methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate

methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate (PubChem CID 99837979) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
PubChem CID99837979
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Namemethyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate
SMILESCOC(=O)[C@@H](C)NCc1cnc2ccccn12
InChIInChI=1S/C12H15N3O2/c1-9(12(16)17-2)13-7-10-8-14-11-5-3-4-6-15(10)11/h3-6,8-9,13H,7H2,1-2H3/t9-/m1/s1
InChIKeyCMMCJTWKQOWFQD-SECBINFHSA-N
XLogP0.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate?
The IUPAC name of methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate (CID 99837979) is methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate.
What is the SMILES notation for methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate?
The canonical SMILES for methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate is COC(=O)[C@@H](C)NCc1cnc2ccccn12.
What is the InChIKey of methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate?
The InChIKey is CMMCJTWKQOWFQD-SECBINFHSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(12(16)17-2)13-7-10-8-14-11-5-3-4-6-15(10)11/h3-6,8-9,13H,7H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate?
methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate has a molecular weight of 233.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(imidazo[1,2-a]pyridin-3-ylmethylamino)propanoate is sourced from PubChem (CID 99837979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).