2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid

C11H15NO4S — CID 15591778

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-17-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14)
InChIKeyCFAJOXPICRIMCA-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.40
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid (PubChem CID 15591778) has the molecular formula C11H15NO4S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid
PubChem CID15591778
Molecular FormulaC11H15NO4S
Molecular Weight257.31 g/mol
Exact Mass257.07
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid
SMILESCC(C)(C)OC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-17-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14)
InChIKeyCFAJOXPICRIMCA-UHFFFAOYSA-N
XLogP2.40
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid (CID 15591778) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid is CC(C)(C)OC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid?
The InChIKey is CFAJOXPICRIMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4S/c1-11(2,3)16-10(15)12-8(9(13)14)7-5-4-6-17-7/h4-6,8H,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid has a molecular weight of 257.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 15591778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).