(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid

C16H14N4O3S — CID 28840002

IUPAC(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
SMILESNC(=O)C[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)C(=O)O
InChIInChI=1S/C16H14N4O3S/c17-13(21)7-11(16(22)23)20-14-10-6-12(9-4-2-1-3-5-9)24-15(10)19-8-18-14/h1-6,8,11H,7H2,(H2,17,21)(H,22,23)(H,18,19,20)/t11-/m1/s1
InChIKeyDUTIKKVOGOIBAQ-LLVKDONJSA-N
MW342.38 g/mol
LogP2.10
Rot. Bonds6

About (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid

(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid (PubChem CID 28840002) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
PubChem CID28840002
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid
SMILESNC(=O)C[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)C(=O)O
InChIInChI=1S/C16H14N4O3S/c17-13(21)7-11(16(22)23)20-14-10-6-12(9-4-2-1-3-5-9)24-15(10)19-8-18-14/h1-6,8,11H,7H2,(H2,17,21)(H,22,23)(H,18,19,20)/t11-/m1/s1
InChIKeyDUTIKKVOGOIBAQ-LLVKDONJSA-N
XLogP2.10
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
The IUPAC name of (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid (CID 28840002) is (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid.
What is the SMILES notation for (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
The canonical SMILES for (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid is NC(=O)C[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)C(=O)O.
What is the InChIKey of (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
The InChIKey is DUTIKKVOGOIBAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14N4O3S/c17-13(21)7-11(16(22)23)20-14-10-6-12(9-4-2-1-3-5-9)24-15(10)19-8-18-14/h1-6,8,11H,7H2,(H2,17,21)(H,22,23)(H,18,19,20)/t11-/m1/s1.
What are the key properties of (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid?
(2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid has a molecular weight of 342.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-4-oxo-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]butanoic acid is sourced from PubChem (CID 28840002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).