2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid

C8H17NO6S — CID 104936720

IUPAC2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
SMILESCOCCCS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C8H17NO6S/c1-14-4-3-5-16(12,13)9-6-7(15-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyDTYKHRTVSCGXSM-UHFFFAOYSA-N
MW255.29 g/mol
LogP-0.96
Rot. Bonds9

About 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid

2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid (PubChem CID 104936720) has the molecular formula C8H17NO6S and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
PubChem CID104936720
Molecular FormulaC8H17NO6S
Molecular Weight255.29 g/mol
Exact Mass255.08
IUPAC Name2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
SMILESCOCCCS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C8H17NO6S/c1-14-4-3-5-16(12,13)9-6-7(15-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11)
InChIKeyDTYKHRTVSCGXSM-UHFFFAOYSA-N
XLogP-0.96
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
2-methoxy-3-(propylsulfonylamino)propanoic acid
CID 104936724
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
3-methoxy-N-[2-(methylamino)propyl]propane-1-sulfonamide;hydrochloride
CID 120825249
N-(3,3-difluoro-2-hydroxypropyl)-3-methoxypropane-1-sulfonamide
CID 103731723
N-(2-hydroxy-4,4-dimethylpentyl)-3-methoxypropane-1-sulfonamide
CID 113249315
3-methoxy-N-[2-methyl-3-(methylamino)propyl]propane-1-sulfonamide
CID 115302785
N-(3-bromo-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 114298100
N-(2-cyanopropyl)-3-methoxypropane-1-sulfonamide
CID 63290096
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
3-(cyclohexylmethylsulfonylamino)-2-methoxypropanoic acid
CID 104936692
4-(3-methoxypropylsulfamoyl)butanoic acid
CID 28513471

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid (CID 104936720) is 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid is COCCCS(=O)(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid?
The InChIKey is DTYKHRTVSCGXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO6S/c1-14-4-3-5-16(12,13)9-6-7(15-2)8(10)11/h7,9H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid?
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid has a molecular weight of 255.29 g/mol, XLogP of -0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid is sourced from PubChem (CID 104936720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).