3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid

C7H16N2O5S — CID 114806743

IUPAC3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
SMILESCOCC(NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-5(2)8-15(12,13)9-6(4-14-3)7(10)11/h5-6,8-9H,4H2,1-3H3,(H,10,11)
InChIKeyTVWIYOHIUMPHRY-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.08
Rot. Bonds7

About 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid

3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid (PubChem CID 114806743) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
PubChem CID114806743
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid
SMILESCOCC(NS(=O)(=O)NC(C)C)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-5(2)8-15(12,13)9-6(4-14-3)7(10)11/h5-6,8-9H,4H2,1-3H3,(H,10,11)
InChIKeyTVWIYOHIUMPHRY-UHFFFAOYSA-N
XLogP-1.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-(propan-2-ylsulfamoylamino)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

(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
2-[(3-methoxy-2-methylpropanoyl)amino]-4-methylpentanoic acid
CID 119188229
(2S)-4-phenyl-2-(propan-2-ylsulfamoylamino)butanoic acid
CID 104983267
3-methoxy-2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 104517760
3-phenyl-2-(propan-2-ylsulfamoylamino)propanoic acid
CID 85300232
2-(cyclopropylmethylsulfonylamino)-3-methoxypropanoic acid
CID 81078657
(2S)-3-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977898
3-methoxy-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 81078841
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
4-methoxy-3-N-(propan-2-ylsulfamoyl)butane-1,3-diamine
CID 106153951
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
CID 103240234

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid (CID 114806743) is 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid is COCC(NS(=O)(=O)NC(C)C)C(=O)O.
What is the InChIKey of 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid?
The InChIKey is TVWIYOHIUMPHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-5(2)8-15(12,13)9-6(4-14-3)7(10)11/h5-6,8-9H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid?
3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid has a molecular weight of 240.28 g/mol, XLogP of -1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(propan-2-ylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114806743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).