2-methoxy-3-(propylsulfamoylamino)propanoic acid

C7H16N2O5S — CID 106108270

IUPAC2-methoxy-3-(propylsulfamoylamino)propanoic acid
SMILESCCCNS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-3-4-8-15(12,13)9-5-6(14-2)7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyJTBDPQUGSDEIHQ-UHFFFAOYSA-N
MW240.28 g/mol
LogP-1.08
Rot. Bonds8

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

2-methoxy-3-(propylsulfamoylamino)propanoic acid (PubChem CID 106108270) has the molecular formula C7H16N2O5S and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-methoxy-3-(propylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(propylsulfamoylamino)propanoic acid
PubChem CID106108270
Molecular FormulaC7H16N2O5S
Molecular Weight240.28 g/mol
Exact Mass240.08
IUPAC Name2-methoxy-3-(propylsulfamoylamino)propanoic acid
SMILESCCCNS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C7H16N2O5S/c1-3-4-8-15(12,13)9-5-6(14-2)7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11)
InChIKeyJTBDPQUGSDEIHQ-UHFFFAOYSA-N
XLogP-1.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
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 2-methoxy-3-(propylsulfamoylamino)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-(propylsulfonylamino)propanoic acid
CID 104936724
2-[(propylsulfamoylamino)methyl]butanoic acid
CID 114806376
2-phenyl-3-(propylsulfamoylamino)propanoic acid
CID 114805983
3-ethyl-1-(propylsulfamoylamino)pentan-2-ol
CID 106288196
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
(2S)-4-methoxy-4-oxo-2-(propylsulfamoylamino)butanoic acid
CID 104977912
2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
4-(ethylsulfamoylamino)-3-methoxybutanoic acid
CID 103153439
2-methoxy-3-[(4-propoxyphenyl)sulfonylamino]propanoic acid
CID 104936715
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
3-[(4-fluorophenyl)sulfonylamino]-2-methoxypropanoic acid
CID 104936683

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(propylsulfamoylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(propylsulfamoylamino)propanoic acid (CID 106108270) is 2-methoxy-3-(propylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(propylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(propylsulfamoylamino)propanoic acid is CCCNS(=O)(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(propylsulfamoylamino)propanoic acid?
The InChIKey is JTBDPQUGSDEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O5S/c1-3-4-8-15(12,13)9-5-6(14-2)7(10)11/h6,8-9H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-methoxy-3-(propylsulfamoylamino)propanoic acid?
2-methoxy-3-(propylsulfamoylamino)propanoic acid has a molecular weight of 240.28 g/mol, XLogP of -1.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(propylsulfamoylamino)propanoic acid is sourced from PubChem (CID 106108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).