(2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid

C10H13NO3S — CID 6407234

IUPAC(2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid
SMILESCC(C)Cc1ccc(/C(=N/O)C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-6(2)5-7-3-4-8(15-7)9(11-14)10(12)13/h3-4,6,14H,5H2,1-2H3,(H,12,13)/b11-9-
InChIKeyLTIQCYGRJHYLTM-LUAWRHEFSA-N
MW227.28 g/mol
LogP2.21
Rot. Bonds4

About (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid

(2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid (PubChem CID 6407234) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid
PubChem CID6407234
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name(2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid
SMILESCC(C)Cc1ccc(/C(=N/O)C(=O)O)s1
InChIInChI=1S/C10H13NO3S/c1-6(2)5-7-3-4-8(15-7)9(11-14)10(12)13/h3-4,6,14H,5H2,1-2H3,(H,12,13)/b11-9-
InChIKeyLTIQCYGRJHYLTM-LUAWRHEFSA-N
XLogP2.21
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid?
The IUPAC name of (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid (CID 6407234) is (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid.
What is the SMILES notation for (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid?
The canonical SMILES for (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid is CC(C)Cc1ccc(/C(=N/O)C(=O)O)s1.
What is the InChIKey of (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid?
The InChIKey is LTIQCYGRJHYLTM-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H13NO3S/c1-6(2)5-7-3-4-8(15-7)9(11-14)10(12)13/h3-4,6,14H,5H2,1-2H3,(H,12,13)/b11-9-.
What are the key properties of (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid?
(2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid has a molecular weight of 227.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-2-[5-(2-methylpropyl)thiophen-2-yl]acetic acid is sourced from PubChem (CID 6407234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).