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

C11H11N3O5S — CID 80749574

IUPAC(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cnc2sccc2c1=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H11N3O5S/c15-4-7(11(18)19)13-8(16)3-14-5-12-9-6(10(14)17)1-2-20-9/h1-2,5,7,15H,3-4H2,(H,13,16)(H,18,19)/t7-/m1/s1
InChIKeyLFDRFUHJPUXELS-SSDOTTSWSA-N
MW297.29 g/mol
LogP-0.98
Rot. Bonds5

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

(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 80749574) has the molecular formula C11H11N3O5S and a molecular weight of 297.29 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
PubChem CID80749574
Molecular FormulaC11H11N3O5S
Molecular Weight297.29 g/mol
Exact Mass297.04
IUPAC Name(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid
SMILESO=C(Cn1cnc2sccc2c1=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H11N3O5S/c15-4-7(11(18)19)13-8(16)3-14-5-12-9-6(10(14)17)1-2-20-9/h1-2,5,7,15H,3-4H2,(H,13,16)(H,18,19)/t7-/m1/s1
InChIKeyLFDRFUHJPUXELS-SSDOTTSWSA-N
XLogP-0.98
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S)-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]pentanoic acid
CID 107564302
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9463568
N-[(2S)-1-methoxypropan-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 40898847
(2S)-2-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoylamino]hexanoic acid
CID 120614267
N-(methylcarbamoyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 8594302
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 92626378
N-(3,5-dimethylphenyl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 18083656
N-[(2,6-difluorophenyl)methyl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 75489789
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 38861918
N-[(2-methylpropan-2-yl)oxy]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 82726092
N-butyl-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9372669
N-(1,2-oxazol-4-yl)-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 146131718

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid (CID 80749574) is (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid is O=C(Cn1cnc2sccc2c1=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is LFDRFUHJPUXELS-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11N3O5S/c15-4-7(11(18)19)13-8(16)3-14-5-12-9-6(10(14)17)1-2-20-9/h1-2,5,7,15H,3-4H2,(H,13,16)(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid?
(2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 297.29 g/mol, XLogP of -0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 80749574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).