4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid

C7H11NO6S — CID 87937971

IUPAC4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid
SMILESCOS(=O)(=O)OC1(C(=O)O)C=CC(N)C1
InChIInChI=1S/C7H11NO6S/c1-13-15(11,12)14-7(6(9)10)3-2-5(8)4-7/h2-3,5H,4,8H2,1H3,(H,9,10)
InChIKeyKOUMBOJIILZDTP-UHFFFAOYSA-N
MW237.23 g/mol
LogP-1.00
Rot. Bonds4

About 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid

4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid (PubChem CID 87937971) has the molecular formula C7H11NO6S and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid
PubChem CID87937971
Molecular FormulaC7H11NO6S
Molecular Weight237.23 g/mol
Exact Mass237.03
IUPAC Name4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid
SMILESCOS(=O)(=O)OC1(C(=O)O)C=CC(N)C1
InChIInChI=1S/C7H11NO6S/c1-13-15(11,12)14-7(6(9)10)3-2-5(8)4-7/h2-3,5H,4,8H2,1H3,(H,9,10)
InChIKeyKOUMBOJIILZDTP-UHFFFAOYSA-N
XLogP-1.00
TPSA115.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid (CID 87937971) is 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid is COS(=O)(=O)OC1(C(=O)O)C=CC(N)C1.
What is the InChIKey of 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid?
The InChIKey is KOUMBOJIILZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO6S/c1-13-15(11,12)14-7(6(9)10)3-2-5(8)4-7/h2-3,5H,4,8H2,1H3,(H,9,10).
What are the key properties of 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid?
4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of -1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methoxysulfonyloxycyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 87937971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).