methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate

C9H18N2O3 — CID 79624848

IUPACmethyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)CC(N)=O
InChIInChI=1S/C9H18N2O3/c1-9(2,8(13)14-4)6-11(3)5-7(10)12/h5-6H2,1-4H3,(H2,10,12)
InChIKeyNRDGADFEJSBTEM-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.40
Rot. Bonds5

About methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate

methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate (PubChem CID 79624848) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
PubChem CID79624848
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CN(C)CC(N)=O
InChIInChI=1S/C9H18N2O3/c1-9(2,8(13)14-4)6-11(3)5-7(10)12/h5-6H2,1-4H3,(H2,10,12)
InChIKeyNRDGADFEJSBTEM-UHFFFAOYSA-N
XLogP-0.40
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate (CID 79624848) is methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CN(C)CC(N)=O.
What is the InChIKey of methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate?
The InChIKey is NRDGADFEJSBTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-9(2,8(13)14-4)6-11(3)5-7(10)12/h5-6H2,1-4H3,(H2,10,12).
What are the key properties of methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate?
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate has a molecular weight of 202.25 g/mol, XLogP of -0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79624848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).