ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate

C15H30N2O3 — CID 62026624

IUPACethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)C(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C15H30N2O3/c1-8-15(6,7)16-14(19)12(5)17(11(3)4)10-13(18)20-9-2/h11-12H,8-10H2,1-7H3,(H,16,19)
InChIKeyRQZSJNWREVTRGO-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.95
Rot. Bonds8

About ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate

ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate (PubChem CID 62026624) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
PubChem CID62026624
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nameethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(C)C)C(C)C(=O)NC(C)(C)CC
InChIInChI=1S/C15H30N2O3/c1-8-15(6,7)16-14(19)12(5)17(11(3)4)10-13(18)20-9-2/h11-12H,8-10H2,1-7H3,(H,16,19)
InChIKeyRQZSJNWREVTRGO-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350303
ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 62012945
ethyl 2-[(1-anilino-1-oxopropan-2-yl)-propan-2-ylamino]acetate
CID 62028333
2-aminooxy-N-(2-methylbutan-2-yl)propanamide
CID 79426922
2-[1-aminopropan-2-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 104556787
2-[2-aminoethyl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61349502
2-[azetidin-3-yl(methyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 66187847
2-[(2-amino-2-oxoethyl)-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 107440476
2-[2-aminoethyl(ethyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350485
ethyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026818
2-[2-aminoethyl(propyl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350121
N-(2-methylbutan-2-yl)-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]propanamide
CID 61018696

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate (CID 62026624) is ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate is CCOC(=O)CN(C(C)C)C(C)C(=O)NC(C)(C)CC.
What is the InChIKey of ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
The InChIKey is RQZSJNWREVTRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-8-15(6,7)16-14(19)12(5)17(11(3)4)10-13(18)20-9-2/h11-12H,8-10H2,1-7H3,(H,16,19).
What are the key properties of ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate?
ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate has a molecular weight of 286.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]-propan-2-ylamino]acetate is sourced from PubChem (CID 62026624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).