4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid

C11H21NO5S — CID 122068754

IUPAC4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid
SMILESCOCC1(S(=O)(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C11H21NO5S/c1-10(2,5-4-9(13)14)12-18(15,16)11(6-7-11)8-17-3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyVRIYERPEPATSBO-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.73
Rot. Bonds8

About 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid

4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid (PubChem CID 122068754) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid
PubChem CID122068754
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid
SMILESCOCC1(S(=O)(=O)NC(C)(C)CCC(=O)O)CC1
InChIInChI=1S/C11H21NO5S/c1-10(2,5-4-9(13)14)12-18(15,16)11(6-7-11)8-17-3/h12H,4-8H2,1-3H3,(H,13,14)
InChIKeyVRIYERPEPATSBO-UHFFFAOYSA-N
XLogP0.73
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid (CID 122068754) is 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid is COCC1(S(=O)(=O)NC(C)(C)CCC(=O)O)CC1.
What is the InChIKey of 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid?
The InChIKey is VRIYERPEPATSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-10(2,5-4-9(13)14)12-18(15,16)11(6-7-11)8-17-3/h12H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid?
4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid has a molecular weight of 279.36 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(methoxymethyl)cyclopropyl]sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 122068754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).