methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate

C11H24N2O3 — CID 116502052

IUPACmethyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate
SMILESCOCC(C)C(NCCN(C)C)C(=O)OC
InChIInChI=1S/C11H24N2O3/c1-9(8-15-4)10(11(14)16-5)12-6-7-13(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyGWKDCDAMEQMQCN-UHFFFAOYSA-N
MW232.32 g/mol
LogP-0.04
Rot. Bonds8

About methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate

methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate (PubChem CID 116502052) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate
PubChem CID116502052
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Namemethyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate
SMILESCOCC(C)C(NCCN(C)C)C(=O)OC
InChIInChI=1S/C11H24N2O3/c1-9(8-15-4)10(11(14)16-5)12-6-7-13(2)3/h9-10,12H,6-8H2,1-5H3
InChIKeyGWKDCDAMEQMQCN-UHFFFAOYSA-N
XLogP-0.04
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate?
The IUPAC name of methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate (CID 116502052) is methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate.
What is the SMILES notation for methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate?
The canonical SMILES for methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate is COCC(C)C(NCCN(C)C)C(=O)OC.
What is the InChIKey of methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate?
The InChIKey is GWKDCDAMEQMQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(8-15-4)10(11(14)16-5)12-6-7-13(2)3/h9-10,12H,6-8H2,1-5H3.
What are the key properties of methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate?
methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate has a molecular weight of 232.32 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(dimethylamino)ethylamino]-4-methoxy-3-methylbutanoate is sourced from PubChem (CID 116502052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).