1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

C15H17N3O4S — CID 82033808

IUPAC1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc2c(=O)n(CCC(=O)N3CCCC3C(=O)O)cnc2s1
InChIInChI=1S/C15H17N3O4S/c1-9-7-10-13(23-9)16-8-17(14(10)20)6-4-12(19)18-5-2-3-11(18)15(21)22/h7-8,11H,2-6H2,1H3,(H,21,22)
InChIKeyJNTMTIPSQBGOTD-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.23
Rot. Bonds4

About 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid

1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 82033808) has the molecular formula C15H17N3O4S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID82033808
Molecular FormulaC15H17N3O4S
Molecular Weight335.39 g/mol
Exact Mass335.09
IUPAC Name1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid
SMILESCc1cc2c(=O)n(CCC(=O)N3CCCC3C(=O)O)cnc2s1
InChIInChI=1S/C15H17N3O4S/c1-9-7-10-13(23-9)16-8-17(14(10)20)6-4-12(19)18-5-2-3-11(18)15(21)22/h7-8,11H,2-6H2,1H3,(H,21,22)
InChIKeyJNTMTIPSQBGOTD-UHFFFAOYSA-N
XLogP1.23
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 82032755
1-[2-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]pyrrolidine-2-carboxylic acid
CID 82033801
(2S)-1-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 61136713
3-(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-one
CID 39760848
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
1-[4-(2,5-dimethylthiophen-3-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 119355635
3-ethyl-6-methylthieno[2,3-d]pyrimidin-4-one
CID 118280400
1-[3-(2-methyl-4-nitroimidazol-1-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356355
[(1S,3S)-3-methylcyclohexyl] 2-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate
CID 7747432
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 47017268
(2S)-1-[2-(6-bromo-4-oxoquinazolin-3-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 119365735

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid (CID 82033808) is 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid is Cc1cc2c(=O)n(CCC(=O)N3CCCC3C(=O)O)cnc2s1.
What is the InChIKey of 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is JNTMTIPSQBGOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4S/c1-9-7-10-13(23-9)16-8-17(14(10)20)6-4-12(19)18-5-2-3-11(18)15(21)22/h7-8,11H,2-6H2,1H3,(H,21,22).
What are the key properties of 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid?
1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 335.39 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82033808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).