3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid

C9H17NO6S — CID 54951253

IUPAC3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-3-10(6-4-8(11)12)17(14,15)7-5-9(13)16-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyYREGRTGHXLKZEH-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.32
Rot. Bonds8

About 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid

3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid (PubChem CID 54951253) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
PubChem CID54951253
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
SMILESCCN(CCC(=O)O)S(=O)(=O)CCC(=O)OC
InChIInChI=1S/C9H17NO6S/c1-3-10(6-4-8(11)12)17(14,15)7-5-9(13)16-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyYREGRTGHXLKZEH-UHFFFAOYSA-N
XLogP-0.32
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid (CID 54951253) is 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid is CCN(CCC(=O)O)S(=O)(=O)CCC(=O)OC.
What is the InChIKey of 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The InChIKey is YREGRTGHXLKZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-3-10(6-4-8(11)12)17(14,15)7-5-9(13)16-2/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid has a molecular weight of 267.30 g/mol, XLogP of -0.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 54951253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).