2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid

C12H17NO4S — CID 112602340

IUPAC2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
SMILESCC(C)(C)OCC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H17NO4S/c1-12(2,3)17-7-9(14)13-10(11(15)16)8-5-4-6-18-8/h4-6,10H,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyNIYPAHZWDINPHJ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.81
Rot. Bonds5

About 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid

2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid (PubChem CID 112602340) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
PubChem CID112602340
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Name2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
SMILESCC(C)(C)OCC(=O)NC(C(=O)O)c1cccs1
InChIInChI=1S/C12H17NO4S/c1-12(2,3)17-7-9(14)13-10(11(15)16)8-5-4-6-18-8/h4-6,10H,7H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyNIYPAHZWDINPHJ-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 103940581
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-1-thiophen-2-ylpropyl)acetamide
CID 112604514
2-[[2-(4-fluorophenoxy)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284111
2-(3-methylsulfonylpropanoylamino)-2-thiophen-2-ylacetic acid
CID 115283854
2-(ethoxycarbonylamino)-2-thiophen-2-ylacetic acid
CID 115284231
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-(heptanoylamino)-2-thiophen-2-ylacetic acid
CID 115283757
2-[[2-[(5-methyl-1,2-oxazol-3-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115284193
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
2-(4-aminobutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284784
2-thiophen-2-yl-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)acetic acid
CID 115285428

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid (CID 112602340) is 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid is CC(C)(C)OCC(=O)NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid?
The InChIKey is NIYPAHZWDINPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-12(2,3)17-7-9(14)13-10(11(15)16)8-5-4-6-18-8/h4-6,10H,7H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid?
2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid has a molecular weight of 271.34 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 112602340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).