2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid

C10H17NO5S — CID 79264786

IUPAC2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H17NO5S/c1-2-5-11(8-10(12)13)17(14,15)9-3-6-16-7-4-9/h2,9H,1,3-8H2,(H,12,13)
InChIKeyREMPADNAUVRSDM-UHFFFAOYSA-N
MW263.31 g/mol
LogP0.07
Rot. Bonds6

About 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid

2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid (PubChem CID 79264786) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid.

Molecular Properties

Compound Name2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid
PubChem CID79264786
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid
SMILESC=CCN(CC(=O)O)S(=O)(=O)C1CCOCC1
InChIInChI=1S/C10H17NO5S/c1-2-5-11(8-10(12)13)17(14,15)9-3-6-16-7-4-9/h2,9H,1,3-8H2,(H,12,13)
InChIKeyREMPADNAUVRSDM-UHFFFAOYSA-N
XLogP0.07
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid?
The IUPAC name of 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid (CID 79264786) is 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid.
What is the SMILES notation for 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid?
The canonical SMILES for 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid is C=CCN(CC(=O)O)S(=O)(=O)C1CCOCC1.
What is the InChIKey of 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid?
The InChIKey is REMPADNAUVRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-2-5-11(8-10(12)13)17(14,15)9-3-6-16-7-4-9/h2,9H,1,3-8H2,(H,12,13).
What are the key properties of 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid?
2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid has a molecular weight of 263.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid is sourced from PubChem (CID 79264786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).