methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate

C11H22N2O3 — CID 60677092

IUPACmethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(10(15)12-11(2,3)4)13(5)7-9(14)16-6/h8H,7H2,1-6H3,(H,12,15)
InChIKeyAUDIVFCBDWVJDF-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.39
Rot. Bonds4

About methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate

methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate (PubChem CID 60677092) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
PubChem CID60677092
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C11H22N2O3/c1-8(10(15)12-11(2,3)4)13(5)7-9(14)16-6/h8H,7H2,1-6H3,(H,12,15)
InChIKeyAUDIVFCBDWVJDF-UHFFFAOYSA-N
XLogP0.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 62012945
methyl 2-[methyl-[1-oxo-1-(propylamino)propan-2-yl]amino]acetate
CID 60677105
methyl 2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 55028897
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
CID 63761507
methyl 2-[[1-(cyclohexylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60670343
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
methyl 2-[[1-(diethylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60721008
2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-(carboxymethyl)amino]acetic acid
CID 63645143
N-tert-butyl-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 51242961
methyl 2-[bis[2-(tert-butylamino)-2-oxoethyl]amino]acetate
CID 134845181

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate (CID 60677092) is methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate is COC(=O)CN(C)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The InChIKey is AUDIVFCBDWVJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(10(15)12-11(2,3)4)13(5)7-9(14)16-6/h8H,7H2,1-6H3,(H,12,15).
What are the key properties of methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate?
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate has a molecular weight of 230.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate is sourced from PubChem (CID 60677092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).