methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate

C11H15N3O5S — CID 663863

IUPACmethyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15N3O5S/c1-7(10(15)19-2)13-11(16)14-8-3-5-9(6-4-8)20(12,17)18/h3-7H,1-2H3,(H2,12,17,18)(H2,13,14,16)/t7-/m0/s1
InChIKeyRBSRDGWPDLUTGN-ZETCQYMHSA-N
MW301.32 g/mol
LogP0.02
Rot. Bonds4

About methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate

methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate (PubChem CID 663863) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate
PubChem CID663863
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Namemethyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H15N3O5S/c1-7(10(15)19-2)13-11(16)14-8-3-5-9(6-4-8)20(12,17)18/h3-7H,1-2H3,(H2,12,17,18)(H2,13,14,16)/t7-/m0/s1
InChIKeyRBSRDGWPDLUTGN-ZETCQYMHSA-N
XLogP0.02
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate (CID 663863) is methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate is COC(=O)[C@H](C)NC(=O)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate?
The InChIKey is RBSRDGWPDLUTGN-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-7(10(15)19-2)13-11(16)14-8-3-5-9(6-4-8)20(12,17)18/h3-7H,1-2H3,(H2,12,17,18)(H2,13,14,16)/t7-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate?
methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate has a molecular weight of 301.32 g/mol, XLogP of 0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-sulfamoylphenyl)carbamoylamino]propanoate is sourced from PubChem (CID 663863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).