3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid

C9H18N2O5S — CID 66197632

IUPAC3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid
SMILESCCOC1CC(N)C1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-2-16-7-5-6(10)9(7)11-17(14,15)4-3-8(12)13/h6-7,9,11H,2-5,10H2,1H3,(H,12,13)
InChIKeyQGNKPXXDFUCTRJ-UHFFFAOYSA-N
MW266.32 g/mol
LogP-1.11
Rot. Bonds7

About 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid

3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid (PubChem CID 66197632) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid
PubChem CID66197632
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid
SMILESCCOC1CC(N)C1NS(=O)(=O)CCC(=O)O
InChIInChI=1S/C9H18N2O5S/c1-2-16-7-5-6(10)9(7)11-17(14,15)4-3-8(12)13/h6-7,9,11H,2-5,10H2,1H3,(H,12,13)
InChIKeyQGNKPXXDFUCTRJ-UHFFFAOYSA-N
XLogP-1.11
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid?
The IUPAC name of 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid (CID 66197632) is 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid.
What is the SMILES notation for 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid?
The canonical SMILES for 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid is CCOC1CC(N)C1NS(=O)(=O)CCC(=O)O.
What is the InChIKey of 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid?
The InChIKey is QGNKPXXDFUCTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-2-16-7-5-6(10)9(7)11-17(14,15)4-3-8(12)13/h6-7,9,11H,2-5,10H2,1H3,(H,12,13).
What are the key properties of 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid?
3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid has a molecular weight of 266.32 g/mol, XLogP of -1.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-4-ethoxycyclobutyl)sulfamoyl]propanoic acid is sourced from PubChem (CID 66197632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).