ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate

C12H24N2O3 — CID 47082451

IUPACethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O3/c1-5-17-12(16)9-14(4)8-11(15)13-7-6-10(2)3/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyZZIGIGOMIHNELH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.64
Rot. Bonds8

About ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate

ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate (PubChem CID 47082451) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate
PubChem CID47082451
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate
SMILESCCOC(=O)CN(C)CC(=O)NCCC(C)C
InChIInChI=1S/C12H24N2O3/c1-5-17-12(16)9-14(4)8-11(15)13-7-6-10(2)3/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyZZIGIGOMIHNELH-UHFFFAOYSA-N
XLogP0.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate?
The IUPAC name of ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate (CID 47082451) is ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate.
What is the SMILES notation for ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate?
The canonical SMILES for ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate is CCOC(=O)CN(C)CC(=O)NCCC(C)C.
What is the InChIKey of ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate?
The InChIKey is ZZIGIGOMIHNELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-17-12(16)9-14(4)8-11(15)13-7-6-10(2)3/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate?
ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate has a molecular weight of 244.33 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]acetate is sourced from PubChem (CID 47082451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).