2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid

C10H13NO3S — CID 115729823

IUPAC2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid
SMILESCc1ccc(CC(=O)N(C)CC(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-7-3-4-8(15-7)5-9(12)11(2)6-10(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyJGICDVMUAZERKZ-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.14
Rot. Bonds4

About 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid

2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid (PubChem CID 115729823) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid
PubChem CID115729823
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid
SMILESCc1ccc(CC(=O)N(C)CC(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-7-3-4-8(15-7)5-9(12)11(2)6-10(13)14/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyJGICDVMUAZERKZ-UHFFFAOYSA-N
XLogP1.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-(5-methylthiophen-2-yl)acetamide
CID 127015462
N-[2-(dimethylamino)-2-oxoethyl]-2-(5-methylthiophen-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86839979
2-[(5-methylthiophen-2-yl)methyl-propylamino]acetic acid
CID 65064587
2-chloro-N-methyl-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 166403146
2-[N-[(5-methylthiophen-2-yl)methyl]anilino]acetic acid
CID 65059622
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetyl]-methylamino]acetic acid
CID 82486581
2-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]acetic acid
CID 65063855
2-[[2-(2,5-dimethylphenyl)acetyl]-methylamino]acetic acid
CID 62538496
2-(5-methylthiophen-2-yl)acetohydrazide
CID 130978061
2-[methyl-[2-(4-methyl-1,3-oxazol-2-yl)acetyl]amino]acetic acid
CID 110836146
N-(2-aminoethyl)-2-(5-methylthiophen-2-yl)-N-(2-phenylethyl)acetamide
CID 120884702
2-[(5-methylthiophen-2-yl)methylcarbamoyl-propan-2-ylamino]acetic acid
CID 62056404

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid (CID 115729823) is 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid is Cc1ccc(CC(=O)N(C)CC(=O)O)s1.
What is the InChIKey of 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid?
The InChIKey is JGICDVMUAZERKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-7-3-4-8(15-7)5-9(12)11(2)6-10(13)14/h3-4H,5-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid has a molecular weight of 227.28 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(5-methylthiophen-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 115729823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).