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

C14H21NO3S — CID 54265759

IUPAC2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate
SMILESCCC(NC(=O)Cc1ccsc1)C(=O)OCC(C)C
InChIInChI=1S/C14H21NO3S/c1-4-12(14(17)18-8-10(2)3)15-13(16)7-11-5-6-19-9-11/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyRGQFGCHFLWHYSQ-UHFFFAOYSA-N
MW283.39 g/mol
LogP2.38
Rot. Bonds7

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

2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate (PubChem CID 54265759) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate
PubChem CID54265759
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate
SMILESCCC(NC(=O)Cc1ccsc1)C(=O)OCC(C)C
InChIInChI=1S/C14H21NO3S/c1-4-12(14(17)18-8-10(2)3)15-13(16)7-11-5-6-19-9-11/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyRGQFGCHFLWHYSQ-UHFFFAOYSA-N
XLogP2.38
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.38
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]butanoate?
The IUPAC name of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate (CID 54265759) is 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate.
What is the SMILES notation for 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate?
The canonical SMILES for 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate is CCC(NC(=O)Cc1ccsc1)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate?
The InChIKey is RGQFGCHFLWHYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-4-12(14(17)18-8-10(2)3)15-13(16)7-11-5-6-19-9-11/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate?
2-methylpropyl 2-[(2-thiophen-3-ylacetyl)amino]butanoate has a molecular weight of 283.39 g/mol, XLogP of 2.38, 7 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]butanoate is sourced from PubChem (CID 54265759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).