2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid

C8H8ClNO3S — CID 82475711

IUPAC2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNO3S/c9-7-2-1-6(14-7)5(11)3-10-4-8(12)13/h1-2,10H,3-4H2,(H,12,13)
InChIKeyHELMHFHCOXBJDW-UHFFFAOYSA-N
MW233.68 g/mol
LogP1.26
Rot. Bonds5

About 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid

2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid (PubChem CID 82475711) has the molecular formula C8H8ClNO3S and a molecular weight of 233.68 g/mol. Its IUPAC name is 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
PubChem CID82475711
Molecular FormulaC8H8ClNO3S
Molecular Weight233.68 g/mol
Exact Mass232.99
IUPAC Name2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid
SMILESO=C(O)CNCC(=O)c1ccc(Cl)s1
InChIInChI=1S/C8H8ClNO3S/c9-7-2-1-6(14-7)5(11)3-10-4-8(12)13/h1-2,10H,3-4H2,(H,12,13)
InChIKeyHELMHFHCOXBJDW-UHFFFAOYSA-N
XLogP1.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.68
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(5-chlorothiophen-2-yl)-2-oxoethyl]carbamic acid
CID 89478549
1-(5-chlorothiophen-2-yl)-2-(prop-2-enylamino)ethanone
CID 94257066
1-(5-chlorothiophen-2-yl)-2-(2-methylpropylamino)ethanone
CID 94261007
2-anilino-1-(5-chlorothiophen-2-yl)ethanone
CID 82119570
1-(5-chlorothiophen-2-yl)butane-1,3-dione
CID 43439048
2-[[2-[(5-chlorothiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43387544
1-(5-chlorothiophen-2-yl)-3-cyclopropylpropane-1,3-dione
CID 63320072
1-(5-chlorothiophen-2-yl)pentane-1,4-dione
CID 82127105
methyl 4-(5-chlorothiophen-2-yl)-2,4-dioxobutanoate
CID 4962746
1-(5-chlorothiophen-2-yl)-2-phenylsulfanylethanone
CID 43413346
3-[(5-chlorothiophene-2-carbonyl)-cyclopropylamino]propanoic acid
CID 60845442
3-[[1-(5-chlorothiophen-2-yl)-1-oxopropan-2-yl]amino]propanoic acid
CID 112513571

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid (CID 82475711) is 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid is O=C(O)CNCC(=O)c1ccc(Cl)s1.
What is the InChIKey of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid?
The InChIKey is HELMHFHCOXBJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3S/c9-7-2-1-6(14-7)5(11)3-10-4-8(12)13/h1-2,10H,3-4H2,(H,12,13).
What are the key properties of 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid?
2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid has a molecular weight of 233.68 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-chlorothiophen-2-yl)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 82475711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).