4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid

C8H18N2O5S — CID 114814766

IUPAC4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
SMILESCOCCNS(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-7(5-8(11)12)6-10-16(13,14)9-3-4-15-2/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyKNHBCEVOUUEAQL-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.83
Rot. Bonds9

About 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid

4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid (PubChem CID 114814766) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
PubChem CID114814766
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
SMILESCOCCNS(=O)(=O)NCC(C)CC(=O)O
InChIInChI=1S/C8H18N2O5S/c1-7(5-8(11)12)6-10-16(13,14)9-3-4-15-2/h7,9-10H,3-6H2,1-2H3,(H,11,12)
InChIKeyKNHBCEVOUUEAQL-UHFFFAOYSA-N
XLogP-0.83
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
CID 114814837
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
3-methyl-4-(propan-2-ylsulfonylamino)butanoic acid
CID 81066190
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
1-N-(2-methoxyethylsulfamoyl)butane-1,2-diamine
CID 114816081
3-methyl-4-(trifluoromethylsulfonylamino)butanoic acid
CID 81066675
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
N'-(2-methoxyethylsulfamoyl)-2-methylpentane-1,5-diamine
CID 106154148
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid?
The IUPAC name of 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid (CID 114814766) is 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid?
The canonical SMILES for 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid is COCCNS(=O)(=O)NCC(C)CC(=O)O.
What is the InChIKey of 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid?
The InChIKey is KNHBCEVOUUEAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-7(5-8(11)12)6-10-16(13,14)9-3-4-15-2/h7,9-10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid?
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.83, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 114814766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).