ethyl (2R)-2-bromopropanoate

C5H9BrO2 — CID 7003709

IUPACethyl (2R)-2-bromopropanoate
SMILESCCOC(=O)[C@@H](C)Br
InChIInChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyARFLASKVLJTEJD-SCSAIBSYSA-N
MW181.03 g/mol
LogP1.33
Rot. Bonds2

About ethyl (2R)-2-bromopropanoate

ethyl (2R)-2-bromopropanoate (PubChem CID 7003709) has the molecular formula C5H9BrO2 and a molecular weight of 181.03 g/mol. Its IUPAC name is ethyl (2R)-2-bromopropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-bromopropanoate
PubChem CID7003709
Molecular FormulaC5H9BrO2
Molecular Weight181.03 g/mol
Exact Mass179.98
IUPAC Nameethyl (2R)-2-bromopropanoate
SMILESCCOC(=O)[C@@H](C)Br
InChIInChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m1/s1
InChIKeyARFLASKVLJTEJD-SCSAIBSYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.03
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromopropanoyloxymethyl 2-bromopropanoate
CID 146451354
ethyl 2-bromoacetate;ethyl 2-bromobutanoate;ethyl 2-bromopropanoate
CID 88617504
ethyl 2-bromo-2-hydroxyacetate
CID 57173380
diethyl 2-bromo-3-methylbutanedioate
CID 22292929
ethyl 2-bromo-2-sulfanylacetate
CID 87714166
3-(2-bromopropanoyloxy)propyl 2-bromopropanoate
CID 87557044
diethyl 2-methylpropanedioate;zirconium
CID 174876844
ethyl (2S)-3-bromo-2-methylpropanoate
CID 12730420
[3-(2-bromopropanoyloxy)-2,2-bis(2-bromopropanoyloxymethyl)propyl] 2-bromopropanoate
CID 20826094
propanoyl 2-bromopropanoate
CID 87180539
[(2R)-1-ethoxy-1-oxopropan-2-yl]azanium
CID 6932860
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-bromopropanoate?
The IUPAC name of ethyl (2R)-2-bromopropanoate (CID 7003709) is ethyl (2R)-2-bromopropanoate.
What is the SMILES notation for ethyl (2R)-2-bromopropanoate?
The canonical SMILES for ethyl (2R)-2-bromopropanoate is CCOC(=O)[C@@H](C)Br.
What is the InChIKey of ethyl (2R)-2-bromopropanoate?
The InChIKey is ARFLASKVLJTEJD-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9BrO2/c1-3-8-5(7)4(2)6/h4H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of ethyl (2R)-2-bromopropanoate?
ethyl (2R)-2-bromopropanoate has a molecular weight of 181.03 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-bromopropanoate is sourced from PubChem (CID 7003709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).