methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate

C9H18BrNO3 — CID 81099300

IUPACmethyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
SMILESCCN(CCOC)CC(Br)C(=O)OC
InChIInChI=1S/C9H18BrNO3/c1-4-11(5-6-13-2)7-8(10)9(12)14-3/h8H,4-7H2,1-3H3
InChIKeyRWEQPMZJQGBDHV-UHFFFAOYSA-N
MW268.15 g/mol
LogP0.89
Rot. Bonds7

About methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate

methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate (PubChem CID 81099300) has the molecular formula C9H18BrNO3 and a molecular weight of 268.15 g/mol. Its IUPAC name is methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
PubChem CID81099300
Molecular FormulaC9H18BrNO3
Molecular Weight268.15 g/mol
Exact Mass267.05
IUPAC Namemethyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
SMILESCCN(CCOC)CC(Br)C(=O)OC
InChIInChI=1S/C9H18BrNO3/c1-4-11(5-6-13-2)7-8(10)9(12)14-3/h8H,4-7H2,1-3H3
InChIKeyRWEQPMZJQGBDHV-UHFFFAOYSA-N
XLogP0.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[bis(2-methoxyethyl)amino]-2-bromopropanoate
CID 81099418
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 65475175
methyl 2-bromo-3-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]propanoate
CID 81099763
methyl 3-[bis(2-hydroxyethyl)amino]-2-bromopropanoate
CID 81099922
methyl 3-[bis(3-methylbutyl)amino]-2-bromopropanoate
CID 114011184
2-[ethyl(2-methoxyethyl)amino]ethyl 2-methylpropanoate
CID 89149379
methyl 2-bromo-3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 81100726
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893

Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate (CID 81099300) is methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate is CCN(CCOC)CC(Br)C(=O)OC.
What is the InChIKey of methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate?
The InChIKey is RWEQPMZJQGBDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18BrNO3/c1-4-11(5-6-13-2)7-8(10)9(12)14-3/h8H,4-7H2,1-3H3.
What are the key properties of methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate?
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate has a molecular weight of 268.15 g/mol, XLogP of 0.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 81099300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).