methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate

C9H20N2O4S — CID 115303566

IUPACmethyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C9H20N2O4S/c1-9(2,10)7-11-16(13,14)6-4-5-8(12)15-3/h11H,4-7,10H2,1-3H3
InChIKeyROSUURSRWJILHT-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.40
Rot. Bonds7

About methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate

methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate (PubChem CID 115303566) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
PubChem CID115303566
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Namemethyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate
SMILESCOC(=O)CCCS(=O)(=O)NCC(C)(C)N
InChIInChI=1S/C9H20N2O4S/c1-9(2,10)7-11-16(13,14)6-4-5-8(12)15-3/h11H,4-7,10H2,1-3H3
InChIKeyROSUURSRWJILHT-UHFFFAOYSA-N
XLogP-0.40
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate 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

methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid
CID 66002556
N-(2-amino-2-methylpropyl)-3-methoxypropane-1-sulfonamide
CID 115303463
methyl 4-(3-methylsulfonylpropylsulfamoyl)butanoate
CID 54951863
N-(2-amino-2-methylpropyl)butane-1-sulfonamide
CID 115303565
(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
methyl 4-(3-iodopropylsulfamoyl)butanoate
CID 106442100
methyl 4-(prop-2-enylsulfamoyl)butanoate
CID 61460361
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]butanoate
CID 61457714
methyl 4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]butanoate
CID 54952641
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate?
The IUPAC name of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate (CID 115303566) is methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate.
What is the SMILES notation for methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate?
The canonical SMILES for methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate is COC(=O)CCCS(=O)(=O)NCC(C)(C)N.
What is the InChIKey of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate?
The InChIKey is ROSUURSRWJILHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-9(2,10)7-11-16(13,14)6-4-5-8(12)15-3/h11H,4-7,10H2,1-3H3.
What are the key properties of methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate?
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate has a molecular weight of 252.34 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]butanoate is sourced from PubChem (CID 115303566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).