methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate

C9H18N2O3 — CID 15009969

IUPACmethyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)CN(C)C
InChIInChI=1S/C9H18N2O3/c1-7(9(13)14-4)5-10-8(12)6-11(2)3/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyATFLZQOFBJKXRY-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.53
Rot. Bonds5

About methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate

methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate (PubChem CID 15009969) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate
PubChem CID15009969
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CNC(=O)CN(C)C
InChIInChI=1S/C9H18N2O3/c1-7(9(13)14-4)5-10-8(12)6-11(2)3/h7H,5-6H2,1-4H3,(H,10,12)
InChIKeyATFLZQOFBJKXRY-UHFFFAOYSA-N
XLogP-0.53
TPSA58.64 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 ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate (CID 15009969) is methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate is COC(=O)C(C)CNC(=O)CN(C)C.
What is the InChIKey of methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate?
The InChIKey is ATFLZQOFBJKXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-7(9(13)14-4)5-10-8(12)6-11(2)3/h7H,5-6H2,1-4H3,(H,10,12).
What are the key properties of methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate?
methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate has a molecular weight of 202.25 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dimethylamino)acetyl]amino]-2-methylpropanoate is sourced from PubChem (CID 15009969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).