5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid

C9H18N2O5S — CID 119234156

IUPAC5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NCCCCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H18N2O5S/c1-11(17(2,15)16)7-8(12)10-6-4-3-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyVUEGCVLECAGNCV-UHFFFAOYSA-N
MW266.32 g/mol
LogP-0.75
Rot. Bonds8

About 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid

5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid (PubChem CID 119234156) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
PubChem CID119234156
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid
SMILESCN(CC(=O)NCCCCC(=O)O)S(C)(=O)=O
InChIInChI=1S/C9H18N2O5S/c1-11(17(2,15)16)7-8(12)10-6-4-3-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14)
InChIKeyVUEGCVLECAGNCV-UHFFFAOYSA-N
XLogP-0.75
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[[2-[methyl(thiophen-2-ylsulfonyl)amino]acetyl]amino]pentanoic acid
CID 62032128
4-[[2-[acetyl(methyl)amino]acetyl]amino]butanoic acid
CID 43355054
12-[[14-(11-carboxyundecylamino)-14-oxotetradecanoyl]amino]dodecanoic acid
CID 139798562
9-[6-(8-carboxyoctanoylamino)hexylamino]-9-oxononanoic acid
CID 139798563
3-[methyl-[2-oxo-2-(propylamino)ethyl]sulfamoyl]propanoic acid
CID 60952620
12-(4-carboxybutanoylamino)dodecanoic acid
CID 141106762
N-hydroxy-2-[methyl(methylsulfonyl)amino]acetamide
CID 130678622
azane;6-[6-(5-carboxypentanoylamino)hexylamino]-6-oxohexanoic acid
CID 170853910
4-[[2-[methoxycarbonyl(methyl)amino]acetyl]amino]butanoic acid
CID 115640990
5-[(2-propylsulfonylacetyl)amino]pentanoic acid
CID 119234428
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
The IUPAC name of 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid (CID 119234156) is 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid is CN(CC(=O)NCCCCC(=O)O)S(C)(=O)=O.
What is the InChIKey of 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
The InChIKey is VUEGCVLECAGNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O5S/c1-11(17(2,15)16)7-8(12)10-6-4-3-5-9(13)14/h3-7H2,1-2H3,(H,10,12)(H,13,14).
What are the key properties of 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid?
5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid has a molecular weight of 266.32 g/mol, XLogP of -0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[methyl(methylsulfonyl)amino]acetyl]amino]pentanoic acid is sourced from PubChem (CID 119234156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).