2-methoxy-3-(propylsulfonylamino)propanoic acid

C7H15NO5S — CID 104936724

IUPAC2-methoxy-3-(propylsulfonylamino)propanoic acid
SMILESCCCS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C7H15NO5S/c1-3-4-14(11,12)8-5-6(13-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyOUMGTSAHNLPOQT-UHFFFAOYSA-N
MW225.27 g/mol
LogP-0.58
Rot. Bonds7

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

2-methoxy-3-(propylsulfonylamino)propanoic acid (PubChem CID 104936724) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 2-methoxy-3-(propylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(propylsulfonylamino)propanoic acid
PubChem CID104936724
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name2-methoxy-3-(propylsulfonylamino)propanoic acid
SMILESCCCS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C7H15NO5S/c1-3-4-14(11,12)8-5-6(13-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyOUMGTSAHNLPOQT-UHFFFAOYSA-N
XLogP-0.58
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
3-(cyclohexylmethylsulfonylamino)-2-methoxypropanoic acid
CID 104936692
3-amino-2-methoxy-N-propylsulfonylpropanamide
CID 106114069
(2S)-3-[(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methylsulfonylamino]-2-methoxypropanoic acid
CID 139014460
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683
(2S)-2-(propylsulfonylamino)propanoic acid
CID 7130952
N-[(2R,3R)-2-hydroxy-3-methylpentyl]propane-1-sulfonamide
CID 95633247
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643
3-[(4-tert-butylphenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936753

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(propylsulfonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(propylsulfonylamino)propanoic acid (CID 104936724) is 2-methoxy-3-(propylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(propylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(propylsulfonylamino)propanoic acid is CCCS(=O)(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(propylsulfonylamino)propanoic acid?
The InChIKey is OUMGTSAHNLPOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-3-4-14(11,12)8-5-6(13-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-methoxy-3-(propylsulfonylamino)propanoic acid?
2-methoxy-3-(propylsulfonylamino)propanoic acid has a molecular weight of 225.27 g/mol, XLogP of -0.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(propylsulfonylamino)propanoic acid is sourced from PubChem (CID 104936724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).