ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate

C11H23NO4S — CID 79551597

IUPACethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate
SMILESCCOC(=O)C(C)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-6-16-10(13)9(2)7-12-8-11(3,4)17(5,14)15/h9,12H,6-8H2,1-5H3
InChIKeyAWDPUBMFHKEVDW-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.60
Rot. Bonds7

About ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate

ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate (PubChem CID 79551597) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate
PubChem CID79551597
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Nameethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate
SMILESCCOC(=O)C(C)CNCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C11H23NO4S/c1-6-16-10(13)9(2)7-12-8-11(3,4)17(5,14)15/h9,12H,6-8H2,1-5H3
InChIKeyAWDPUBMFHKEVDW-UHFFFAOYSA-N
XLogP0.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate (CID 79551597) is ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate is CCOC(=O)C(C)CNCC(C)(C)S(C)(=O)=O.
What is the InChIKey of ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate?
The InChIKey is AWDPUBMFHKEVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-6-16-10(13)9(2)7-12-8-11(3,4)17(5,14)15/h9,12H,6-8H2,1-5H3.
What are the key properties of ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate?
ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate has a molecular weight of 265.37 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(2-methyl-2-methylsulfonylpropyl)amino]propanoate is sourced from PubChem (CID 79551597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).