2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid

C11H22N2O4S — CID 166239327

IUPAC2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC1CC1)S(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-5-13(8-9-6-7-9)18(16,17)12(4)11(2,3)10(14)15/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyVPIAWMAATBHLEH-UHFFFAOYSA-N
MW278.37 g/mol
LogP0.76
Rot. Bonds7

About 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid

2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid (PubChem CID 166239327) has the molecular formula C11H22N2O4S and a molecular weight of 278.37 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
PubChem CID166239327
Molecular FormulaC11H22N2O4S
Molecular Weight278.37 g/mol
Exact Mass278.13
IUPAC Name2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid
SMILESCCN(CC1CC1)S(=O)(=O)N(C)C(C)(C)C(=O)O
InChIInChI=1S/C11H22N2O4S/c1-5-13(8-9-6-7-9)18(16,17)12(4)11(2,3)10(14)15/h9H,5-8H2,1-4H3,(H,14,15)
InChIKeyVPIAWMAATBHLEH-UHFFFAOYSA-N
XLogP0.76
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl(methyl)amino]-2-ethylbutanoic acid
CID 114987688
4-[cyclopropylmethyl(ethyl)sulfamoyl]butanoic acid
CID 63954719
2-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63955952
3-[cyclopropylmethyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoic acid
CID 82820640
2-[ethylsulfamoyl(methyl)amino]-2-methylpropanoic acid
CID 114805959
N'-[cyclobutylmethyl(ethyl)sulfamoyl]-N,N'-dimethylpropane-1,3-diamine
CID 107402874
2-[cyclopropylmethyl(methyl)amino]-2-ethyl-4-methylhexanoic acid
CID 114991466
2-[cyclohexylmethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62818726
2-[(1,1-dioxothian-4-yl)-ethylamino]-2-methylpropanoic acid
CID 65062009
2-[cyclopentylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 105360802
2-methyl-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propanoic acid
CID 115128042
N-[ethyl(piperidin-4-ylmethyl)sulfamoyl]-N-propylpropan-1-amine
CID 79716430

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid (CID 166239327) is 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid is CCN(CC1CC1)S(=O)(=O)N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
The InChIKey is VPIAWMAATBHLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4S/c1-5-13(8-9-6-7-9)18(16,17)12(4)11(2,3)10(14)15/h9H,5-8H2,1-4H3,(H,14,15).
What are the key properties of 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid?
2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid has a molecular weight of 278.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(ethyl)sulfamoyl]-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 166239327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).