methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide

C7H17BrN2O2 — CID 175531341

IUPACmethyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
SMILESBr.COC(=O)CCN(C)N(C)C
InChIInChI=1S/C7H16N2O2.BrH/c1-8(2)9(3)6-5-7(10)11-4;/h5-6H2,1-4H3;1H
InChIKeyMACSUPKONJTJMP-UHFFFAOYSA-N
MW241.13 g/mol
LogP0.54
Rot. Bonds4

About methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide

methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide (PubChem CID 175531341) has the molecular formula C7H17BrN2O2 and a molecular weight of 241.13 g/mol. Its IUPAC name is methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide.

Molecular Properties

Compound Namemethyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
PubChem CID175531341
Molecular FormulaC7H17BrN2O2
Molecular Weight241.13 g/mol
Exact Mass240.05
IUPAC Namemethyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
SMILESBr.COC(=O)CCN(C)N(C)C
InChIInChI=1S/C7H16N2O2.BrH/c1-8(2)9(3)6-5-7(10)11-4;/h5-6H2,1-4H3;1H
InChIKeyMACSUPKONJTJMP-UHFFFAOYSA-N
XLogP0.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928
[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid
CID 88812958
3-[(4-methoxy-4-oxobutyl)-methylamino]propanoic acid;hydrochloride
CID 170901625
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575
methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406

Frequently Asked Questions

What is the IUPAC name of methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide?
The IUPAC name of methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide (CID 175531341) is methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide.
What is the SMILES notation for methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide?
The canonical SMILES for methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide is Br.COC(=O)CCN(C)N(C)C.
What is the InChIKey of methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide?
The InChIKey is MACSUPKONJTJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2.BrH/c1-8(2)9(3)6-5-7(10)11-4;/h5-6H2,1-4H3;1H.
What are the key properties of methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide?
methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide has a molecular weight of 241.13 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide is sourced from PubChem (CID 175531341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).