2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid

C9H10ClNO4S2 — CID 63912083

IUPAC2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO4S2/c10-7-2-1-6(17-7)4-16-5-8(12)11-15-3-9(13)14/h1-2H,3-5H2,(H,11,12)(H,13,14)
InChIKeyRTCUIPQYPZPZMI-UHFFFAOYSA-N
MW295.77 g/mol
LogP1.77
Rot. Bonds7

About 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid

2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid (PubChem CID 63912083) has the molecular formula C9H10ClNO4S2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid
PubChem CID63912083
Molecular FormulaC9H10ClNO4S2
Molecular Weight295.77 g/mol
Exact Mass294.97
IUPAC Name2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)CSCc1ccc(Cl)s1
InChIInChI=1S/C9H10ClNO4S2/c10-7-2-1-6(17-7)4-16-5-8(12)11-15-3-9(13)14/h1-2H,3-5H2,(H,11,12)(H,13,14)
InChIKeyRTCUIPQYPZPZMI-UHFFFAOYSA-N
XLogP1.77
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid (CID 63912083) is 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)CSCc1ccc(Cl)s1.
What is the InChIKey of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid?
The InChIKey is RTCUIPQYPZPZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO4S2/c10-7-2-1-6(17-7)4-16-5-8(12)11-15-3-9(13)14/h1-2H,3-5H2,(H,11,12)(H,13,14).
What are the key properties of 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid?
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid has a molecular weight of 295.77 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]oxyacetic acid is sourced from PubChem (CID 63912083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).