propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate

C15H19N3O3S — CID 155457985

IUPACpropan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)OC(C)C)sc12
InChIInChI=1S/C15H19N3O3S/c1-8(2)21-15(20)10(16)7-18-14(19)12-6-11-13(22-12)9(3)4-5-17-11/h4-6,8,10H,7,16H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyBTIXFAIXQSXRET-SNVBAGLBSA-N
MW321.40 g/mol
LogP1.61
Rot. Bonds5

About propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate

propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (PubChem CID 155457985) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
PubChem CID155457985
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Namepropan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
SMILESCc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)OC(C)C)sc12
InChIInChI=1S/C15H19N3O3S/c1-8(2)21-15(20)10(16)7-18-14(19)12-6-11-13(22-12)9(3)4-5-17-11/h4-6,8,10H,7,16H2,1-3H3,(H,18,19)/t10-/m1/s1
InChIKeyBTIXFAIXQSXRET-SNVBAGLBSA-N
XLogP1.61
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The IUPAC name of propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate (CID 155457985) is propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The canonical SMILES for propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is Cc1ccnc2cc(C(=O)NC[C@@H](N)C(=O)OC(C)C)sc12.
What is the InChIKey of propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
The InChIKey is BTIXFAIXQSXRET-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-8(2)21-15(20)10(16)7-18-14(19)12-6-11-13(22-12)9(3)4-5-17-11/h4-6,8,10H,7,16H2,1-3H3,(H,18,19)/t10-/m1/s1.
What are the key properties of propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate?
propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate has a molecular weight of 321.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 155457985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).