methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride

C9H19ClN2O3 — CID 155820097

IUPACmethyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride
SMILESCNCCC(=O)N(C)CCC(=O)OC.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-10-6-4-8(12)11(2)7-5-9(13)14-3;/h10H,4-7H2,1-3H3;1H
InChIKeyCRXQJUWPBVBEIW-UHFFFAOYSA-N
MW238.71 g/mol
LogP0.04
Rot. Bonds6

About methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride

methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride (PubChem CID 155820097) has the molecular formula C9H19ClN2O3 and a molecular weight of 238.71 g/mol. Its IUPAC name is methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride
PubChem CID155820097
Molecular FormulaC9H19ClN2O3
Molecular Weight238.71 g/mol
Exact Mass238.11
IUPAC Namemethyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride
SMILESCNCCC(=O)N(C)CCC(=O)OC.Cl
InChIInChI=1S/C9H18N2O3.ClH/c1-10-6-4-8(12)11(2)7-5-9(13)14-3;/h10H,4-7H2,1-3H3;1H
InChIKeyCRXQJUWPBVBEIW-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 methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride (CID 155820097) is methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride is CNCCC(=O)N(C)CCC(=O)OC.Cl.
What is the InChIKey of methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride?
The InChIKey is CRXQJUWPBVBEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.ClH/c1-10-6-4-8(12)11(2)7-5-9(13)14-3;/h10H,4-7H2,1-3H3;1H.
What are the key properties of methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride?
methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;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 methyl 3-[methyl-[3-(methylamino)propanoyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 155820097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).