2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid

C11H22N2O6S — CID 107832318

IUPAC2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-7(2)6-8(13-20(3,18)19)10(15)12-5-4-9(14)11(16)17/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyBZHKSWOKTSPCNO-UHFFFAOYSA-N
MW310.37 g/mol
LogP-1.10
Rot. Bonds9

About 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid

2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid (PubChem CID 107832318) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
PubChem CID107832318
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-7(2)6-8(13-20(3,18)19)10(15)12-5-4-9(14)11(16)17/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)(H,16,17)
InChIKeyBZHKSWOKTSPCNO-UHFFFAOYSA-N
XLogP-1.10
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.37
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid with MolForge

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Related Compounds

4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
CID 10781140
N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107822218
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
CID 113236515
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
CID 43431214
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
The IUPAC name of 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid (CID 107832318) is 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid.
What is the SMILES notation for 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
The canonical SMILES for 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid is CC(C)CC(NS(C)(=O)=O)C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
The InChIKey is BZHKSWOKTSPCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-7(2)6-8(13-20(3,18)19)10(15)12-5-4-9(14)11(16)17/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)(H,16,17).
What are the key properties of 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid has a molecular weight of 310.37 g/mol, XLogP of -1.10, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid is sourced from PubChem (CID 107832318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).