2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid

C8H8BrNO3S — CID 82307146

IUPAC2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C8H8BrNO3S/c9-5-1-6(14-4-5)2-7(11)10-3-8(12)13/h1,4H,2-3H2,(H,10,11)(H,12,13)
InChIKeyQIYMFNCKXFPWIF-UHFFFAOYSA-N
MW278.13 g/mol
LogP1.25
Rot. Bonds4

About 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid

2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid (PubChem CID 82307146) has the molecular formula C8H8BrNO3S and a molecular weight of 278.13 g/mol. Its IUPAC name is 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
PubChem CID82307146
Molecular FormulaC8H8BrNO3S
Molecular Weight278.13 g/mol
Exact Mass276.94
IUPAC Name2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C8H8BrNO3S/c9-5-1-6(14-4-5)2-7(11)10-3-8(12)13/h1,4H,2-3H2,(H,10,11)(H,12,13)
InChIKeyQIYMFNCKXFPWIF-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.13
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-N-iodoacetamide
CID 170238076
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
2-(4-bromothiophen-2-yl)-N-cyclopentylacetamide
CID 110769887
2-(4-bromothiophen-2-yl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]acetamide
CID 115272124
N-[(4-bromothiophen-2-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 47250397
1-(4-bromothiophen-2-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589847
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
N-[2-(4-bromothiophen-2-yl)ethyl]carbamoyl bromide
CID 115193942
2-[(4-bromothiophen-2-yl)methylamino]-N-(2-methoxyethyl)acetamide
CID 60691989
N-[(4-bromothiophen-2-yl)methyl]thiadiazole-4-carboxamide
CID 47352361
N-[(4-bromothiophen-2-yl)methyl]-2-methylsulfanylacetamide
CID 47250162

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid (CID 82307146) is 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid is O=C(O)CNC(=O)Cc1cc(Br)cs1.
What is the InChIKey of 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid?
The InChIKey is QIYMFNCKXFPWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO3S/c9-5-1-6(14-4-5)2-7(11)10-3-8(12)13/h1,4H,2-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid?
2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid has a molecular weight of 278.13 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-bromothiophen-2-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 82307146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).