ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride

C9H19ClN2O3 — CID 155858467

IUPACethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)CCN(C)C.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-4-14-9(13)7-10-8(12)5-6-11(2)3;/h4-7H2,1-3H3,(H,10,12);1H
InChIKeyFQJKWGMJEGAESJ-UHFFFAOYSA-N
MW238.71 g/mol
LogP0.04
Rot. Bonds6

About ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride

ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride (PubChem CID 155858467) has the molecular formula C9H19ClN2O3 and a molecular weight of 238.71 g/mol. Its IUPAC name is ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride
PubChem CID155858467
Molecular FormulaC9H19ClN2O3
Molecular Weight238.71 g/mol
Exact Mass238.11
IUPAC Nameethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride
SMILESCCOC(=O)CNC(=O)CCN(C)C.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-4-14-9(13)7-10-8(12)5-6-11(2)3;/h4-7H2,1-3H3,(H,10,12);1H
InChIKeyFQJKWGMJEGAESJ-UHFFFAOYSA-N
XLogP0.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride (CID 155858467) is ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride is CCOC(=O)CNC(=O)CCN(C)C.Cl.
What is the InChIKey of ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride?
The InChIKey is FQJKWGMJEGAESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.ClH/c1-4-14-9(13)7-10-8(12)5-6-11(2)3;/h4-7H2,1-3H3,(H,10,12);1H.
What are the key properties of ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride?
ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride has a molecular weight of 238.71 g/mol, XLogP of 0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(dimethylamino)propanoylamino]acetate;hydrochloride is sourced from PubChem (CID 155858467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).