5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid

C9H19NO5S — CID 82684266

IUPAC5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
SMILESCOCCS(=O)(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C9H19NO5S/c1-8(3-4-9(11)12)7-10-16(13,14)6-5-15-2/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyBFDCCGPSXLMZJY-UHFFFAOYSA-N
MW253.32 g/mol
LogP0.05
Rot. Bonds9

About 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid

5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid (PubChem CID 82684266) has the molecular formula C9H19NO5S and a molecular weight of 253.32 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
PubChem CID82684266
Molecular FormulaC9H19NO5S
Molecular Weight253.32 g/mol
Exact Mass253.10
IUPAC Name5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
SMILESCOCCS(=O)(=O)NCC(C)CCC(=O)O
InChIInChI=1S/C9H19NO5S/c1-8(3-4-9(11)12)7-10-16(13,14)6-5-15-2/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyBFDCCGPSXLMZJY-UHFFFAOYSA-N
XLogP0.05
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butylsulfonylamino)-4-methylpentanoic acid
CID 82016892
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
CID 104936769
7-(2-methoxyethylsulfonylamino)heptanoic acid
CID 55010122
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
3-[(2-methyl-3-methylsulfanylpropyl)sulfamoyl]propanoic acid
CID 63964847
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
5-(methoxycarbonylamino)-4-methylpentanoic acid
CID 82017023
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid?
The IUPAC name of 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid (CID 82684266) is 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid.
What is the SMILES notation for 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid?
The canonical SMILES for 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid is COCCS(=O)(=O)NCC(C)CCC(=O)O.
What is the InChIKey of 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid?
The InChIKey is BFDCCGPSXLMZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO5S/c1-8(3-4-9(11)12)7-10-16(13,14)6-5-15-2/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid?
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid has a molecular weight of 253.32 g/mol, XLogP of 0.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid is sourced from PubChem (CID 82684266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).