2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid

C11H15NO3S — CID 60830325

IUPAC2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1cccs1
InChIInChI=1S/C11H15NO3S/c1-8(2)12(7-11(14)15)10(13)6-9-4-3-5-16-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyLCDMLEROQDQJCW-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.61
Rot. Bonds5

About 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid

2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid (PubChem CID 60830325) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
PubChem CID60830325
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)Cc1cccs1
InChIInChI=1S/C11H15NO3S/c1-8(2)12(7-11(14)15)10(13)6-9-4-3-5-16-9/h3-5,8H,6-7H2,1-2H3,(H,14,15)
InChIKeyLCDMLEROQDQJCW-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
2-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]-propylamino]acetic acid
CID 61455513
2-[butan-2-yl(thiophen-2-ylmethyl)amino]acetic acid
CID 60833114
3-methyl-5-oxo-5-[propan-2-yl(thiophen-2-ylmethyl)amino]pentanoic acid
CID 62965787
1,1-dimethyl-3-propan-2-yl-3-(thiophen-2-ylmethyl)urea
CID 115591362
2-chloro-N-propan-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 39248066
N,N-bis(2-hydroxypropyl)-2-thiophen-2-ylacetamide
CID 112509111
2-[propan-2-yl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119198537
benzene;methane;2-thiophen-2-ylacetic acid
CID 70426530
3-[propan-2-yl(4-thiophen-2-ylbutanoyl)amino]propanoic acid
CID 60831568
2-[carboxymethyl(1-thiophen-2-ylethyl)amino]acetic acid
CID 65065392
3-amino-N-propan-2-yl-N-(thiophen-2-ylmethyl)propanamide;hydrochloride
CID 119289693

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid?
The IUPAC name of 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid (CID 60830325) is 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid.
What is the SMILES notation for 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid?
The canonical SMILES for 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid is CC(C)N(CC(=O)O)C(=O)Cc1cccs1.
What is the InChIKey of 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid?
The InChIKey is LCDMLEROQDQJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-8(2)12(7-11(14)15)10(13)6-9-4-3-5-16-9/h3-5,8H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid?
2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid has a molecular weight of 241.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl-(2-thiophen-2-ylacetyl)amino]acetic acid is sourced from PubChem (CID 60830325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).