2-morpholin-4-ylethyl 2-bromobutanoate

C10H18BrNO3 — CID 118876089

IUPAC2-morpholin-4-ylethyl 2-bromobutanoate
SMILESCCC(Br)C(=O)OCCN1CCOCC1
InChIInChI=1S/C10H18BrNO3/c1-2-9(11)10(13)15-8-5-12-3-6-14-7-4-12/h9H,2-8H2,1H3
InChIKeyCGVJQDKITCGNQV-UHFFFAOYSA-N
MW280.16 g/mol
LogP1.04
Rot. Bonds5

About 2-morpholin-4-ylethyl 2-bromobutanoate

2-morpholin-4-ylethyl 2-bromobutanoate (PubChem CID 118876089) has the molecular formula C10H18BrNO3 and a molecular weight of 280.16 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-bromobutanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-bromobutanoate
PubChem CID118876089
Molecular FormulaC10H18BrNO3
Molecular Weight280.16 g/mol
Exact Mass279.05
IUPAC Name2-morpholin-4-ylethyl 2-bromobutanoate
SMILESCCC(Br)C(=O)OCCN1CCOCC1
InChIInChI=1S/C10H18BrNO3/c1-2-9(11)10(13)15-8-5-12-3-6-14-7-4-12/h9H,2-8H2,1H3
InChIKeyCGVJQDKITCGNQV-UHFFFAOYSA-N
XLogP1.04
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 51.04
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

2-morpholin-4-ylethyl 2-ethylpentanoate
CID 144660148
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-hydroxyethyl 2-methylpropanoate;2-morpholin-4-ylethyl 2-methylpropanoate
CID 158502443
2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl 2-iodobut-3-enoate
CID 162508454
2-morpholin-4-ylethyl 2-bromo-2-methyl-3-oxobutanoate
CID 162508735
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
ethane;3-morpholin-4-ylpropyl 2-methylpropanoate
CID 172564142
methylidyne-[(2S)-4-methyl-1-(2-morpholin-4-ylethoxy)-1-oxopentan-2-yl]azanium
CID 163516744
2-morpholin-4-ylethyl octanoate
CID 23118480

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-bromobutanoate?
The IUPAC name of 2-morpholin-4-ylethyl 2-bromobutanoate (CID 118876089) is 2-morpholin-4-ylethyl 2-bromobutanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-bromobutanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-bromobutanoate is CCC(Br)C(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-bromobutanoate?
The InChIKey is CGVJQDKITCGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO3/c1-2-9(11)10(13)15-8-5-12-3-6-14-7-4-12/h9H,2-8H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 2-bromobutanoate?
2-morpholin-4-ylethyl 2-bromobutanoate has a molecular weight of 280.16 g/mol, XLogP of 1.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-bromobutanoate is sourced from PubChem (CID 118876089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).