methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate

C9H18N2O3 — CID 103641653

IUPACmethyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CN(C)C
InChIInChI=1S/C9H18N2O3/c1-10(2)7-8(12)11(3)6-5-9(13)14-4/h5-7H2,1-4H3
InChIKeyTZCZXOOENJZSRH-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.43
Rot. Bonds5

About methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate

methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate (PubChem CID 103641653) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate
PubChem CID103641653
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CN(C)C
InChIInChI=1S/C9H18N2O3/c1-10(2)7-8(12)11(3)6-5-9(13)14-4/h5-7H2,1-4H3
InChIKeyTZCZXOOENJZSRH-UHFFFAOYSA-N
XLogP-0.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate?
The IUPAC name of methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate (CID 103641653) is methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate is COC(=O)CCN(C)C(=O)CN(C)C.
What is the InChIKey of methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate?
The InChIKey is TZCZXOOENJZSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-10(2)7-8(12)11(3)6-5-9(13)14-4/h5-7H2,1-4H3.
What are the key properties of methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate?
methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate has a molecular weight of 202.25 g/mol, XLogP of -0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dimethylamino)acetyl]-methylamino]propanoate is sourced from PubChem (CID 103641653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).