ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid

C11H26N2O2 — CID 143432854

IUPACethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
SMILESCC.CCN(C)CCN(C)CCC(=O)O
InChIInChI=1S/C9H20N2O2.C2H6/c1-4-10(2)7-8-11(3)6-5-9(12)13;1-2/h4-8H2,1-3H3,(H,12,13);1-2H3
InChIKeyMPNCTQYWWYHLLA-UHFFFAOYSA-N
MW218.34 g/mol
LogP1.37
Rot. Bonds7

About ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid

ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid (PubChem CID 143432854) has the molecular formula C11H26N2O2 and a molecular weight of 218.34 g/mol. Its IUPAC name is ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid.

Molecular Properties

Compound Nameethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
PubChem CID143432854
Molecular FormulaC11H26N2O2
Molecular Weight218.34 g/mol
Exact Mass218.20
IUPAC Nameethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid
SMILESCC.CCN(C)CCN(C)CCC(=O)O
InChIInChI=1S/C9H20N2O2.C2H6/c1-4-10(2)7-8-11(3)6-5-9(12)13;1-2/h4-8H2,1-3H3,(H,12,13);1-2H3
InChIKeyMPNCTQYWWYHLLA-UHFFFAOYSA-N
XLogP1.37
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
4-[2-[ethyl(methyl)amino]ethyl-methylamino]butanamide
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CID 144503936
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
3-[ethyl(methyl)amino]propanoic acid;pyrrolidine-1-carboxamide
CID 68551332
3-[2-[ethyl(methyl)amino]ethylsulfamoyl]propanoic acid
CID 62641953
CID 155195867
CID 155195867
copper;bis(3-[methyl(octadecyl)amino]propanoic acid)
CID 88802515
3-[2-ethoxyethyl(methyl)amino]propanoic acid
CID 60988072
3-[2-[bis(2-carboxyethyl)amino]ethyl-(2-carboxyethyl)amino]propanoic acid;ethane
CID 145349461
4-[2-carboxyethyl(ethyl)amino]butanoic acid
CID 82330570
3-[methyl((113C)methyl)amino]propanoic acid;hydrochloride
CID 172746252

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid?
The IUPAC name of ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid (CID 143432854) is ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid.
What is the SMILES notation for ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid?
The canonical SMILES for ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid is CC.CCN(C)CCN(C)CCC(=O)O.
What is the InChIKey of ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid?
The InChIKey is MPNCTQYWWYHLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2.C2H6/c1-4-10(2)7-8-11(3)6-5-9(12)13;1-2/h4-8H2,1-3H3,(H,12,13);1-2H3.
What are the key properties of ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid?
ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid has a molecular weight of 218.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-[ethyl(methyl)amino]ethyl-methylamino]propanoic acid is sourced from PubChem (CID 143432854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).