3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid

C15H17N3O3S — CID 122090926

IUPAC3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(-c2ncccc2NC(=O)N(C)CCC(=O)O)s1
InChIInChI=1S/C15H17N3O3S/c1-10-5-6-12(22-10)14-11(4-3-8-16-14)17-15(21)18(2)9-7-13(19)20/h3-6,8H,7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXFRZNEPTMOCZOV-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.06
Rot. Bonds5

About 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid

3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid (PubChem CID 122090926) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid
PubChem CID122090926
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid
SMILESCc1ccc(-c2ncccc2NC(=O)N(C)CCC(=O)O)s1
InChIInChI=1S/C15H17N3O3S/c1-10-5-6-12(22-10)14-11(4-3-8-16-14)17-15(21)18(2)9-7-13(19)20/h3-6,8H,7,9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyXFRZNEPTMOCZOV-UHFFFAOYSA-N
XLogP3.06
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61182598
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(5-methylthiophen-2-yl)-3-pyridinyl]acetamide
CID 99823514
3-[[8-(difluoromethoxy)quinolin-5-yl]carbamoyl-methylamino]propanoic acid
CID 122077436
3-[(2,5-dimethylphenyl)carbamoyl-methylamino]propanoic acid
CID 61200119
3-[[(2-amino-2-oxoethyl)-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 113447883
3-[methyl-[(8-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
CID 122094297
3-[methyl-[[2-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]amino]propanoic acid
CID 122084828
3-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]pyridine-2-carboxylic acid
CID 104743271
3-[(5-bromo-1,3-thiazol-2-yl)carbamoyl-methylamino]propanoic acid
CID 61206545
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
3-[(2-fluoro-5-methylphenyl)carbamoyl-methylamino]propanoic acid
CID 61195941
3-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]pyridine-2-carboxylic acid
CID 113447890

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid (CID 122090926) is 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid is Cc1ccc(-c2ncccc2NC(=O)N(C)CCC(=O)O)s1.
What is the InChIKey of 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid?
The InChIKey is XFRZNEPTMOCZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-10-5-6-12(22-10)14-11(4-3-8-16-14)17-15(21)18(2)9-7-13(19)20/h3-6,8H,7,9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid?
3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid has a molecular weight of 319.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122090926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).