methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride

C9H18ClNO4 — CID 2909454

IUPACmethyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)CCC(=O)OC.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-10(6-4-8(11)13-2)7-5-9(12)14-3;/h4-7H2,1-3H3;1H
InChIKeyRCRPIZXQPSYGKK-UHFFFAOYSA-N
MW239.70 g/mol
LogP0.47
Rot. Bonds6

About methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride

methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride (PubChem CID 2909454) has the molecular formula C9H18ClNO4 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride
PubChem CID2909454
Molecular FormulaC9H18ClNO4
Molecular Weight239.70 g/mol
Exact Mass239.09
IUPAC Namemethyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride
SMILESCOC(=O)CCN(C)CCC(=O)OC.Cl
InChIInChI=1S/C9H17NO4.ClH/c1-10(6-4-8(11)13-2)7-5-9(12)14-3;/h4-7H2,1-3H3;1H
InChIKeyRCRPIZXQPSYGKK-UHFFFAOYSA-N
XLogP0.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride (CID 2909454) is methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride is COC(=O)CCN(C)CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride?
The InChIKey is RCRPIZXQPSYGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4.ClH/c1-10(6-4-8(11)13-2)7-5-9(12)14-3;/h4-7H2,1-3H3;1H.
What are the key properties of methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride?
methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride has a molecular weight of 239.70 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-3-oxopropyl)-methylamino]propanoate;hydrochloride is sourced from PubChem (CID 2909454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).