ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate

C16H24N2O4S — CID 94477906

IUPACethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C16H24N2O4S/c1-7-22-14(20)10(3)17-13(19)12-9(2)8-11(23-12)18-15(21)16(4,5)6/h8,10H,7H2,1-6H3,(H,17,19)(H,18,21)/t10-/m1/s1
InChIKeyLLWRMEIDZNSRQH-SNVBAGLBSA-N
MW340.45 g/mol
LogP2.72
Rot. Bonds5

About ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate

ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate (PubChem CID 94477906) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
PubChem CID94477906
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Nameethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate
SMILESCCOC(=O)[C@@H](C)NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C
InChIInChI=1S/C16H24N2O4S/c1-7-22-14(20)10(3)17-13(19)12-9(2)8-11(23-12)18-15(21)16(4,5)6/h8,10H,7H2,1-6H3,(H,17,19)(H,18,21)/t10-/m1/s1
InChIKeyLLWRMEIDZNSRQH-SNVBAGLBSA-N
XLogP2.72
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate?
The IUPAC name of ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate (CID 94477906) is ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate?
The canonical SMILES for ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate is CCOC(=O)[C@@H](C)NC(=O)c1sc(NC(=O)C(C)(C)C)cc1C.
What is the InChIKey of ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate?
The InChIKey is LLWRMEIDZNSRQH-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-7-22-14(20)10(3)17-13(19)12-9(2)8-11(23-12)18-15(21)16(4,5)6/h8,10H,7H2,1-6H3,(H,17,19)(H,18,21)/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate?
ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate has a molecular weight of 340.45 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[[5-(2,2-dimethylpropanoylamino)-3-methylthiophene-2-carbonyl]amino]propanoate is sourced from PubChem (CID 94477906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).