4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid

C11H22N2O5S — CID 79864148

IUPAC4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
SMILESCN(CCS(C)(=O)=O)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22N2O5S/c1-11(2,6-5-9(14)15)12-10(16)13(3)7-8-19(4,17)18/h5-8H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyQNUBKTSLRSKYEJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP0.32
Rot. Bonds7

About 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid

4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid (PubChem CID 79864148) has the molecular formula C11H22N2O5S and a molecular weight of 294.37 g/mol. Its IUPAC name is 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
PubChem CID79864148
Molecular FormulaC11H22N2O5S
Molecular Weight294.37 g/mol
Exact Mass294.12
IUPAC Name4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid
SMILESCN(CCS(C)(=O)=O)C(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H22N2O5S/c1-11(2,6-5-9(14)15)12-10(16)13(3)7-8-19(4,17)18/h5-8H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyQNUBKTSLRSKYEJ-UHFFFAOYSA-N
XLogP0.32
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[3-(dimethylamino)propyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 55228127
4-[[2-ethoxyethyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
CID 81057369
3-[tert-butyl(2-methylsulfonylethyl)amino]propanoic acid
CID 60915688
4-[bis(2-amino-2-oxoethyl)carbamoylamino]-4-methylpentanoic acid
CID 62921763
4-[[ethyl(propyl)carbamoyl]amino]-4-methylpentanoic acid
CID 62048521
4-methyl-4-[[propan-2-yl(propyl)carbamoyl]amino]pentanoic acid
CID 62048697
(2R)-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]hexanedioic acid
CID 107840451
4-methyl-4-(2-methylsulfonylpropanoylamino)pentanoic acid
CID 112700739
4-[bis(2-methylpropyl)carbamoylamino]-4-methylpentanoic acid
CID 62049660
4-[[2-ethoxyethyl(ethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 63690077
4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-methylpentanoic acid
CID 62049082
(2R)-3-hydroxy-2-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]propanoic acid
CID 80756409

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid (CID 79864148) is 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid is CN(CCS(C)(=O)=O)C(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid?
The InChIKey is QNUBKTSLRSKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O5S/c1-11(2,6-5-9(14)15)12-10(16)13(3)7-8-19(4,17)18/h5-8H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid?
4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid has a molecular weight of 294.37 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[methyl(2-methylsulfonylethyl)carbamoyl]amino]pentanoic acid is sourced from PubChem (CID 79864148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).