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

C9H20N2O5S — CID 114814837

IUPAC3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
SMILESCOCCNS(=O)(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C9H20N2O5S/c1-7(2)8(6-9(12)13)11-17(14,15)10-4-5-16-3/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeySMCJEGDLGZGJGP-UHFFFAOYSA-N
MW268.33 g/mol
LogP-0.44
Rot. Bonds9

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

3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid (PubChem CID 114814837) has the molecular formula C9H20N2O5S and a molecular weight of 268.33 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
PubChem CID114814837
Molecular FormulaC9H20N2O5S
Molecular Weight268.33 g/mol
Exact Mass268.11
IUPAC Name3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid
SMILESCOCCNS(=O)(=O)NC(CC(=O)O)C(C)C
InChIInChI=1S/C9H20N2O5S/c1-7(2)8(6-9(12)13)11-17(14,15)10-4-5-16-3/h7-8,10-11H,4-6H2,1-3H3,(H,12,13)
InChIKeySMCJEGDLGZGJGP-UHFFFAOYSA-N
XLogP-0.44
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 5-0.44
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

2-(2-methoxyethylsulfamoylamino)-3-methylbutan-1-ol
CID 114815733
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
4-(2-methoxyethylsulfamoylamino)-3-methylbutanoic acid
CID 114814766
3-(2-methoxyethylsulfamoylamino)hexanoic acid
CID 114814835
methyl 2-(2-methoxyethylsulfamoylamino)propanoate
CID 114816323
(2R)-2-(2-methoxyethylsulfamoylamino)pentanoic acid
CID 107564844
N-(2-methoxyethylsulfamoyl)but-3-yn-2-amine
CID 114816692
3-(2-methoxyethylsulfamoylamino)pentanethioamide
CID 114815267
2-methoxy-N-(2-methylpropoxysulfamoyl)ethanamine
CID 114814912
(3S)-4-methyl-3-(methylamino)pentanoic acid
CID 90425684
1-(2-methoxyethylsulfamoylamino)-3,3-dimethylbutan-2-one
CID 114815341
4-methyl-3-(propylsulfamoylamino)pentan-1-ol
CID 106353409

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid?
The IUPAC name of 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid (CID 114814837) is 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid.
What is the SMILES notation for 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid?
The canonical SMILES for 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid is COCCNS(=O)(=O)NC(CC(=O)O)C(C)C.
What is the InChIKey of 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid?
The InChIKey is SMCJEGDLGZGJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O5S/c1-7(2)8(6-9(12)13)11-17(14,15)10-4-5-16-3/h7-8,10-11H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid?
3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid has a molecular weight of 268.33 g/mol, XLogP of -0.44, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfamoylamino)-4-methylpentanoic acid is sourced from PubChem (CID 114814837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).