methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate

C10H20N2O5S — CID 43431214

IUPACmethyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-7(2)5-8(12-18(4,15)16)10(14)11-6-9(13)17-3/h7-8,12H,5-6H2,1-4H3,(H,11,14)
InChIKeyJEBKLQUCLHQPLI-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.76
Rot. Bonds7

About methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate

methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate (PubChem CID 43431214) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
PubChem CID43431214
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Namemethyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)C(CC(C)C)NS(C)(=O)=O
InChIInChI=1S/C10H20N2O5S/c1-7(2)5-8(12-18(4,15)16)10(14)11-6-9(13)17-3/h7-8,12H,5-6H2,1-4H3,(H,11,14)
InChIKeyJEBKLQUCLHQPLI-UHFFFAOYSA-N
XLogP-0.76
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methanesulfonamido)-N,4-dimethylpentanamide
CID 13443889
3-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427332
N-(4-hydroxypentyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 107300537
4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]-2-methylbutanoic acid
CID 80539069
N-(2-ethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 115613958
N-(1-hydroxy-2-methylpropan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 43500595
2-(methanesulfonamido)-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103755898
N-(4-hydroxy-2,2-dimethylbutyl)-2-(methanesulfonamido)-4-methylpentanamide
CID 103824958
2-(methanesulfonamido)-4-methyl-N-(2-methylpropoxy)pentanamide
CID 115410186
methyl 2-(2-methylsulfonylpropanoylamino)acetate
CID 115582753
2-hydroxy-4-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]butanoic acid
CID 107832318
2-(methanesulfonamido)-4-methyl-N-[(E)-pent-3-enyl]pentanamide
CID 113236515

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate (CID 43431214) is methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate is COC(=O)CNC(=O)C(CC(C)C)NS(C)(=O)=O.
What is the InChIKey of methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate?
The InChIKey is JEBKLQUCLHQPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-7(2)5-8(12-18(4,15)16)10(14)11-6-9(13)17-3/h7-8,12H,5-6H2,1-4H3,(H,11,14).
What are the key properties of methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate?
methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate has a molecular weight of 280.35 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(methanesulfonamido)-4-methylpentanoyl]amino]acetate is sourced from PubChem (CID 43431214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).