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

C10H21ClN2O3 — CID 155820219

IUPACethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride
SMILESCCOC(=O)CN(C)C(=O)CCN(C)C.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-5-15-10(14)8-12(4)9(13)6-7-11(2)3;/h5-8H2,1-4H3;1H
InChIKeyXHPNIPXDVOYZAD-UHFFFAOYSA-N
MW252.74 g/mol
LogP0.38
Rot. Bonds6

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

ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride (PubChem CID 155820219) has the molecular formula C10H21ClN2O3 and a molecular weight of 252.74 g/mol. Its IUPAC name is ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride
PubChem CID155820219
Molecular FormulaC10H21ClN2O3
Molecular Weight252.74 g/mol
Exact Mass252.12
IUPAC Nameethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride
SMILESCCOC(=O)CN(C)C(=O)CCN(C)C.Cl
InChIInChI=1S/C10H20N2O3.ClH/c1-5-15-10(14)8-12(4)9(13)6-7-11(2)3;/h5-8H2,1-4H3;1H
InChIKeyXHPNIPXDVOYZAD-UHFFFAOYSA-N
XLogP0.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride?
The IUPAC name of ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride (CID 155820219) is ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride is CCOC(=O)CN(C)C(=O)CCN(C)C.Cl.
What is the InChIKey of ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride?
The InChIKey is XHPNIPXDVOYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3.ClH/c1-5-15-10(14)8-12(4)9(13)6-7-11(2)3;/h5-8H2,1-4H3;1H.
What are the key properties of ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride?
ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride has a molecular weight of 252.74 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(dimethylamino)propanoyl-methylamino]acetate;hydrochloride is sourced from PubChem (CID 155820219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).