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

C11H22N2O6S — CID 107822218

IUPAC(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-7(2)6-9(13-20(3,18)19)10(15)12-8(4-5-14)11(16)17/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)(H,16,17)/t8-,9?/m0/s1
InChIKeyGGCRZIJTXBVROP-IENPIDJESA-N
MW310.37 g/mol
LogP-1.10
Rot. Bonds9

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

(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid (PubChem CID 107822218) has the molecular formula C11H22N2O6S and a molecular weight of 310.37 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
PubChem CID107822218
Molecular FormulaC11H22N2O6S
Molecular Weight310.37 g/mol
Exact Mass310.12
IUPAC Name(2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
SMILESCC(C)CC(NS(C)(=O)=O)C(=O)N[C@@H](CCO)C(=O)O
InChIInChI=1S/C11H22N2O6S/c1-7(2)6-9(13-20(3,18)19)10(15)12-8(4-5-14)11(16)17/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)(H,16,17)/t8-,9?/m0/s1
InChIKeyGGCRZIJTXBVROP-IENPIDJESA-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 (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid with MolForge

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Related Compounds

(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
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232
2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103867207
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid (CID 107822218) is (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid is CC(C)CC(NS(C)(=O)=O)C(=O)N[C@@H](CCO)C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
The InChIKey is GGCRZIJTXBVROP-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O6S/c1-7(2)6-9(13-20(3,18)19)10(15)12-8(4-5-14)11(16)17/h7-9,13-14H,4-6H2,1-3H3,(H,12,15)(H,16,17)/t8-,9?/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[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 (2S)-4-hydroxy-2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid is sourced from PubChem (CID 107822218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).