methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate

C10H19BrN2O3 — CID 103255442

IUPACmethyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
SMILESCOC(=O)C(Br)CNCC1CN(C)CCO1
InChIInChI=1S/C10H19BrN2O3/c1-13-3-4-16-8(7-13)5-12-6-9(11)10(14)15-2/h8-9,12H,3-7H2,1-2H3
InChIKeyARLDWHWSYAMFNJ-UHFFFAOYSA-N
MW295.18 g/mol
LogP-0.16
Rot. Bonds5

About methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate

methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate (PubChem CID 103255442) has the molecular formula C10H19BrN2O3 and a molecular weight of 295.18 g/mol. Its IUPAC name is methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
PubChem CID103255442
Molecular FormulaC10H19BrN2O3
Molecular Weight295.18 g/mol
Exact Mass294.06
IUPAC Namemethyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate
SMILESCOC(=O)C(Br)CNCC1CN(C)CCO1
InChIInChI=1S/C10H19BrN2O3/c1-13-3-4-16-8(7-13)5-12-6-9(11)10(14)15-2/h8-9,12H,3-7H2,1-2H3
InChIKeyARLDWHWSYAMFNJ-UHFFFAOYSA-N
XLogP-0.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79082924
2-ethyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]butan-1-amine
CID 97045075
2,2-dicyclopropyl-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 79172002
3-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945349
methyl 4-[(4-methylmorpholin-2-yl)methylamino]butanoate
CID 78967404
1-(4-chlorocyclohexyl)-N-[(4-methylmorpholin-2-yl)methyl]methanamine
CID 106123425
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butan-1-amine
CID 75356165
3-[[(2R)-4-methylmorpholin-2-yl]methylamino]propanoic acid
CID 95328025
(2S)-2-methyl-N-[[(2R)-4-methylmorpholin-2-yl]methyl]pentan-1-amine
CID 97045047
2-[(4-methylmorpholin-2-yl)methylamino]propanamide
CID 78945177
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate?
The IUPAC name of methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate (CID 103255442) is methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate is COC(=O)C(Br)CNCC1CN(C)CCO1.
What is the InChIKey of methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate?
The InChIKey is ARLDWHWSYAMFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrN2O3/c1-13-3-4-16-8(7-13)5-12-6-9(11)10(14)15-2/h8-9,12H,3-7H2,1-2H3.
What are the key properties of methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate?
methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate has a molecular weight of 295.18 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[(4-methylmorpholin-2-yl)methylamino]propanoate is sourced from PubChem (CID 103255442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).