2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid

C11H23NO5S — CID 104683008

IUPAC2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
SMILESCC(C)OCCS(=O)(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H23NO5S/c1-9(2)17-7-8-18(15,16)12-6-4-5-10(3)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeySVABYNSJEANOKR-UHFFFAOYSA-N
MW281.37 g/mol
LogP0.83
Rot. Bonds10

About 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid

2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid (PubChem CID 104683008) has the molecular formula C11H23NO5S and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
PubChem CID104683008
Molecular FormulaC11H23NO5S
Molecular Weight281.37 g/mol
Exact Mass281.13
IUPAC Name2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
SMILESCC(C)OCCS(=O)(=O)NCCCC(C)C(=O)O
InChIInChI=1S/C11H23NO5S/c1-9(2)17-7-8-18(15,16)12-6-4-5-10(3)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14)
InChIKeySVABYNSJEANOKR-UHFFFAOYSA-N
XLogP0.83
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid
CID 79594453
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
N-(5-chloropentyl)-2-propan-2-yloxyethanesulfonamide
CID 107322763
4-(2-propan-2-yloxyethylsulfonylamino)butanethioamide
CID 79593867
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
5-(ethylsulfamoylamino)-2-methylpentanoic acid
CID 114807097
5-(methoxycarbonylsulfamoylamino)-2-methylpentanoic acid
CID 114463049
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid?
The IUPAC name of 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid (CID 104683008) is 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid is CC(C)OCCS(=O)(=O)NCCCC(C)C(=O)O.
What is the InChIKey of 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid?
The InChIKey is SVABYNSJEANOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO5S/c1-9(2)17-7-8-18(15,16)12-6-4-5-10(3)11(13)14/h9-10,12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid?
2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid has a molecular weight of 281.37 g/mol, XLogP of 0.83, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-propan-2-yloxyethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 104683008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).