methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate

C14H17N3O3 — CID 61031707

IUPACmethyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O3/c1-16(8-6-14(19)20-2)13(18)9-11-10-17-7-4-3-5-12(17)15-11/h3-5,7,10H,6,8-9H2,1-2H3
InChIKeySWRNUPOQENSPDU-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.90
Rot. Bonds5

About methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate

methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate (PubChem CID 61031707) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate
PubChem CID61031707
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namemethyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)Cc1cn2ccccc2n1
InChIInChI=1S/C14H17N3O3/c1-16(8-6-14(19)20-2)13(18)9-11-10-17-7-4-3-5-12(17)15-11/h3-5,7,10H,6,8-9H2,1-2H3
InChIKeySWRNUPOQENSPDU-UHFFFAOYSA-N
XLogP0.90
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[imidazo[1,2-a]pyridine-2-carbonyl(methyl)amino]acetate
CID 43408804
3-[methyl-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)acetyl]amino]propanoic acid
CID 39175642
N-(2-hydroxyethyl)-2-imidazo[1,2-a]pyridin-2-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 103857563
4-(dimethylamino)-N-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclobutyl]butanamide
CID 166370140
methyl 3-[methyl-(2-naphthalen-2-ylacetyl)amino]propanoate
CID 61031185
methyl 2-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)-methylamino]acetate
CID 43408802
2-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 103973250
methyl 4-[methyl-(2-pyridin-2-ylacetyl)amino]butanoate
CID 55005922
3-[imidazo[1,2-a]pyridin-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 60839321
3-[ethyl-(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 62825599
methyl 3-[methyl-(2-pyridin-4-ylacetyl)amino]propanoate
CID 54997473
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate (CID 61031707) is methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate is COC(=O)CCN(C)C(=O)Cc1cn2ccccc2n1.
What is the InChIKey of methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate?
The InChIKey is SWRNUPOQENSPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-16(8-6-14(19)20-2)13(18)9-11-10-17-7-4-3-5-12(17)15-11/h3-5,7,10H,6,8-9H2,1-2H3.
What are the key properties of methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate?
methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate has a molecular weight of 275.31 g/mol, XLogP of 0.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)-methylamino]propanoate is sourced from PubChem (CID 61031707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).