3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid

C14H18N4O3 — CID 122009413

IUPAC3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cccc2nc(CNC(=O)N(C)CCC(=O)O)cn12
InChIInChI=1S/C14H18N4O3/c1-10-4-3-5-12-16-11(9-18(10)12)8-15-14(21)17(2)7-6-13(19)20/h3-5,9H,6-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyRIGSOKFBOPZXDU-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds5

About 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid

3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid (PubChem CID 122009413) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid
PubChem CID122009413
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid
SMILESCc1cccc2nc(CNC(=O)N(C)CCC(=O)O)cn12
InChIInChI=1S/C14H18N4O3/c1-10-4-3-5-12-16-11(9-18(10)12)8-15-14(21)17(2)7-6-13(19)20/h3-5,9H,6-8H2,1-2H3,(H,15,21)(H,19,20)
InChIKeyRIGSOKFBOPZXDU-UHFFFAOYSA-N
XLogP1.26
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]propanoic acid
CID 119911563
2-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]amino]acetic acid
CID 119906000
2-(methylamino)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 83626352
1-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 126433011
2-amino-2-methyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]propanamide;dihydrochloride
CID 119882818
3-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-phenylbutanamide
CID 110025329
2-(3,5-dimethylpyrazol-1-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]acetamide
CID 56785462
1-(3-hydroxy-3-phenylpropyl)-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]urea
CID 111481737
1-hydroxy-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]cyclopentane-1-carboxamide
CID 111112321
5,7-dimethyl-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 56785481
1-ethyl-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(1R)-1-pyridin-3-ylethyl]urea
CID 95770446
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 56785456

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid (CID 122009413) is 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid is Cc1cccc2nc(CNC(=O)N(C)CCC(=O)O)cn12.
What is the InChIKey of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid?
The InChIKey is RIGSOKFBOPZXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-10-4-3-5-12-16-11(9-18(10)12)8-15-14(21)17(2)7-6-13(19)20/h3-5,9H,6-8H2,1-2H3,(H,15,21)(H,19,20).
What are the key properties of 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid?
3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 122009413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).