2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid

C10H20N2O6S — CID 106110317

IUPAC2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-10(2,19(4,16)17)6-12-9(15)11-5-7(18-3)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyQYFYNCREKMPSEI-UHFFFAOYSA-N
MW296.35 g/mol
LogP-0.79
Rot. Bonds7

About 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid

2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid (PubChem CID 106110317) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
PubChem CID106110317
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
SMILESCOC(CNC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)O
InChIInChI=1S/C10H20N2O6S/c1-10(2,19(4,16)17)6-12-9(15)11-5-7(18-3)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15)
InChIKeyQYFYNCREKMPSEI-UHFFFAOYSA-N
XLogP-0.79
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]methyl]pentanoic acid
CID 81072041
2-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid
CID 79555921
2-methoxy-3-(3-sulfamoylpropylcarbamoylamino)propanoic acid
CID 106110030
3-[[2-(tert-butylamino)acetyl]amino]-2-methoxypropanoic acid
CID 106108860
3-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoylamino]-2-methoxypropanoic acid
CID 106110722
2-methoxy-3-(2-methylsulfinylethylcarbamoylamino)propanoic acid
CID 106110510
2-methoxy-3-(4-methoxybutylcarbamoylamino)propanoic acid
CID 106110012
2-methoxy-3-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]propanoic acid
CID 106110731
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]-2-methoxypropanoic acid
CID 106108926
3-[(5-amino-5-oxopentyl)carbamoylamino]-2-methoxypropanoic acid
CID 106239007
2-methoxy-3-(5-methoxypentylcarbamoylamino)propanoic acid
CID 114144824
2-methoxy-3-[(3-methylcyclopentyl)methylcarbamoylamino]propanoic acid
CID 106110630

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid (CID 106110317) is 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid is COC(CNC(=O)NCC(C)(C)S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
The InChIKey is QYFYNCREKMPSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-10(2,19(4,16)17)6-12-9(15)11-5-7(18-3)8(13)14/h7H,5-6H2,1-4H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid?
2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid has a molecular weight of 296.35 g/mol, XLogP of -0.79, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(2-methyl-2-methylsulfonylpropyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 106110317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).