2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate

C13H19NO3S — CID 22492259

IUPAC2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)NC(=O)Cc1ccsc1
InChIInChI=1S/C13H19NO3S/c1-9(2)7-17-13(16)10(3)14-12(15)6-11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15)
InChIKeyJQNYYYAXJIASPK-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.99
Rot. Bonds6

About 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate

2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate (PubChem CID 22492259) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate
PubChem CID22492259
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate
SMILESCC(C)COC(=O)C(C)NC(=O)Cc1ccsc1
InChIInChI=1S/C13H19NO3S/c1-9(2)7-17-13(16)10(3)14-12(15)6-11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15)
InChIKeyJQNYYYAXJIASPK-UHFFFAOYSA-N
XLogP1.99
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate?
The IUPAC name of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate (CID 22492259) is 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate.
What is the SMILES notation for 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate?
The canonical SMILES for 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate is CC(C)COC(=O)C(C)NC(=O)Cc1ccsc1.
What is the InChIKey of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate?
The InChIKey is JQNYYYAXJIASPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-9(2)7-17-13(16)10(3)14-12(15)6-11-4-5-18-8-11/h4-5,8-10H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate?
2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate has a molecular weight of 269.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]propanoate is sourced from PubChem (CID 22492259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).