ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate

C10H15BrO4 — CID 139791795

IUPACethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate
SMILESCCOC(=O)[C@H](Br)[C@H](OC(C)=O)C1CC1
InChIInChI=1S/C10H15BrO4/c1-3-14-10(13)8(11)9(7-4-5-7)15-6(2)12/h7-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyIGFQMRXLLDXZRF-RKDXNWHRSA-N
MW279.13 g/mol
LogP1.65
Rot. Bonds5

About ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate

ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate (PubChem CID 139791795) has the molecular formula C10H15BrO4 and a molecular weight of 279.13 g/mol. Its IUPAC name is ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate
PubChem CID139791795
Molecular FormulaC10H15BrO4
Molecular Weight279.13 g/mol
Exact Mass278.02
IUPAC Nameethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate
SMILESCCOC(=O)[C@H](Br)[C@H](OC(C)=O)C1CC1
InChIInChI=1S/C10H15BrO4/c1-3-14-10(13)8(11)9(7-4-5-7)15-6(2)12/h7-9H,3-5H2,1-2H3/t8-,9-/m1/s1
InChIKeyIGFQMRXLLDXZRF-RKDXNWHRSA-N
XLogP1.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.65
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

ethyl 2,3-dibromo-3-cyclopropylpropanoate
CID 171562539
diethyl (2R,3R)-2-acetyloxy-3-bromobutanedioate
CID 71299204
ethyl 3-acetyloxy-2-bromobutanoate
CID 12541078
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
diethyl 2-(4-methoxycyclohexyl)propanedioate
CID 166470124
diethyl 2-bromo-3-methylbutanedioate
CID 22292929
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475
1-cyclopropylethyl ethyl carbonate
CID 173016533
ethyl 2-cyclopentylpropanoate
CID 10654733
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl 2-cyclopropyl-3-sulfanylpropanoate
CID 19767893
ethyl 2-acetyloxy-3-hydroxypropanoate
CID 88644525

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate?
The IUPAC name of ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate (CID 139791795) is ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate.
What is the SMILES notation for ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate?
The canonical SMILES for ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate is CCOC(=O)[C@H](Br)[C@H](OC(C)=O)C1CC1.
What is the InChIKey of ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate?
The InChIKey is IGFQMRXLLDXZRF-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H15BrO4/c1-3-14-10(13)8(11)9(7-4-5-7)15-6(2)12/h7-9H,3-5H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate?
ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate has a molecular weight of 279.13 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-acetyloxy-2-bromo-3-cyclopropylpropanoate is sourced from PubChem (CID 139791795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).