methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate

C12H24N2O3 — CID 60699930

IUPACmethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(8-7-11(16)17-5)9-10(15)13-12(2,3)4/h6-9H2,1-5H3,(H,13,15)
InChIKeyUSKWKRLXONJREC-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.79
Rot. Bonds6

About methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate

methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate (PubChem CID 60699930) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate
PubChem CID60699930
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate
SMILESCCN(CCC(=O)OC)CC(=O)NC(C)(C)C
InChIInChI=1S/C12H24N2O3/c1-6-14(8-7-11(16)17-5)9-10(15)13-12(2,3)4/h6-9H2,1-5H3,(H,13,15)
InChIKeyUSKWKRLXONJREC-UHFFFAOYSA-N
XLogP0.79
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(dimethylamino)-2-methyl-2-(methylamino)propanoate
CID 61911664
Methyl 3-[2-(dimethylamino)acetamido]propanoate
CID 103603748
Methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181
Methyl 3-[(2-amino-2-methylpropanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 61266416
Methyl 3-[[2-(ethylamino)-2-methylpropanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 62835316
Methyl 3-[[2-methyl-2-(methylamino)propanoyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 62846351
Methyl 3-[[2-(tert-butylamino)acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 78923682
Methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-(2-methylpropyl)amino]propanoate
CID 79805065
Methyl 3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-methylamino]-2-methylpropanoate
CID 79805761
Methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate
CID 15009969
Methyl 3-(3,3-dimethyl-2-oxopiperazin-1-yl)butanoate
CID 18682367
Methyl 2-methyl-2-[[2-(methylamino)acetyl]amino]propanoate
CID 43710064

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate?
The IUPAC name of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate (CID 60699930) is methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate is CCN(CCC(=O)OC)CC(=O)NC(C)(C)C.
What is the InChIKey of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate?
The InChIKey is USKWKRLXONJREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-6-14(8-7-11(16)17-5)9-10(15)13-12(2,3)4/h6-9H2,1-5H3,(H,13,15).
What are the key properties of methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate?
methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate has a molecular weight of 244.33 g/mol, XLogP of 0.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]propanoate is sourced from PubChem (CID 60699930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).