methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride

C8H17ClN2O3 — CID 155820443

IUPACmethyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride
SMILESCNCCCC(=O)NCC(=O)OC.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-9-5-3-4-7(11)10-6-8(12)13-2;/h9H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyZYKMXJKSVCXXHF-UHFFFAOYSA-N
MW224.69 g/mol
LogP-0.30
Rot. Bonds6

About methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride

methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride (PubChem CID 155820443) has the molecular formula C8H17ClN2O3 and a molecular weight of 224.69 g/mol. Its IUPAC name is methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride
PubChem CID155820443
Molecular FormulaC8H17ClN2O3
Molecular Weight224.69 g/mol
Exact Mass224.09
IUPAC Namemethyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride
SMILESCNCCCC(=O)NCC(=O)OC.Cl
InChIInChI=1S/C8H16N2O3.ClH/c1-9-5-3-4-7(11)10-6-8(12)13-2;/h9H,3-6H2,1-2H3,(H,10,11);1H
InChIKeyZYKMXJKSVCXXHF-UHFFFAOYSA-N
XLogP-0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride (CID 155820443) is methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride is CNCCCC(=O)NCC(=O)OC.Cl.
What is the InChIKey of methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride?
The InChIKey is ZYKMXJKSVCXXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3.ClH/c1-9-5-3-4-7(11)10-6-8(12)13-2;/h9H,3-6H2,1-2H3,(H,10,11);1H.
What are the key properties of methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride?
methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methylamino)butanoylamino]acetate;hydrochloride is sourced from PubChem (CID 155820443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).