2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid

C13H15N3O4S — CID 39164915

IUPAC2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc2c(=O)n(CC(=O)NC(C)(C)C(=O)O)cnc2s1
InChIInChI=1S/C13H15N3O4S/c1-7-4-8-10(21-7)14-6-16(11(8)18)5-9(17)15-13(2,3)12(19)20/h4,6H,5H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyKGPCYPYJUXTPJU-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid

2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 39164915) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
PubChem CID39164915
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
SMILESCc1cc2c(=O)n(CC(=O)NC(C)(C)C(=O)O)cnc2s1
InChIInChI=1S/C13H15N3O4S/c1-7-4-8-10(21-7)14-6-16(11(8)18)5-9(17)15-13(2,3)12(19)20/h4,6H,5H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyKGPCYPYJUXTPJU-UHFFFAOYSA-N
XLogP0.75
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid with MolForge

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Related Compounds

2-[[2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 39164641
3-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
CID 39164887
N-(5-methyl-1,2-oxazol-3-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 23963812
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
N-(3,4-dimethoxyphenyl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4055518
2-methyl-2-[[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]acetyl]amino]propanoic acid
CID 39175337
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 4112311
2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-N-(2-morpholin-4-ium-4-ylethyl)acetamide
CID 3649161
3-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715237
3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-methylthieno[2,3-d]pyrimidin-4-one
CID 92715236
N-(1-ethyl-2-methylindol-5-yl)-2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 46963557
6-methyl-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one
CID 144895692

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid (CID 39164915) is 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid is Cc1cc2c(=O)n(CC(=O)NC(C)(C)C(=O)O)cnc2s1.
What is the InChIKey of 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is KGPCYPYJUXTPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-7-4-8-10(21-7)14-6-16(11(8)18)5-9(17)15-13(2,3)12(19)20/h4,6H,5H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 309.35 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 39164915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).