methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate

C10H14BrNO3 — CID 104652541

IUPACmethyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-6(8-4-5-9(11)15-8)12-7(2)10(13)14-3/h4-7,12H,1-3H3/t6?,7-/m0/s1
InChIKeyKAWBWXAEFAOVMT-MLWJPKLSSA-N
MW276.13 g/mol
LogP2.25
Rot. Bonds4

About methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate

methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate (PubChem CID 104652541) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
PubChem CID104652541
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Namemethyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate
SMILESCOC(=O)[C@H](C)NC(C)c1ccc(Br)o1
InChIInChI=1S/C10H14BrNO3/c1-6(8-4-5-9(11)15-8)12-7(2)10(13)14-3/h4-7,12H,1-3H3/t6?,7-/m0/s1
InChIKeyKAWBWXAEFAOVMT-MLWJPKLSSA-N
XLogP2.25
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-bromofuran-2-yl)ethylamino]-N,N-diethylpropanamide
CID 104652645
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
2-[1-(5-bromofuran-2-yl)ethylamino]-N,4-dimethylpentanamide
CID 104652711
2-[4-[1-(5-bromofuran-2-yl)ethylamino]phenoxy]acetamide
CID 104652472
(2S)-2-[1-(5-bromofuran-2-yl)ethylamino]butan-1-ol
CID 104980490
methyl (2S)-2-[1-(4-bromo-2-fluorophenyl)ethylamino]propanoate
CID 82963202
methyl 4-methyl-2-[1-(5-methylfuran-2-yl)ethylamino]pentanoate
CID 43689060
N-[1-(5-bromofuran-2-yl)ethyl]pentan-2-amine
CID 104652004
methyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 60677237
methyl 3-(5-bromofuran-2-yl)-3-hydroxy-2-methylbutanoate
CID 104653955
3-[1-(5-bromofuran-2-yl)ethylamino]-2-methylbenzamide
CID 104652440

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate?
The IUPAC name of methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate (CID 104652541) is methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate is COC(=O)[C@H](C)NC(C)c1ccc(Br)o1.
What is the InChIKey of methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate?
The InChIKey is KAWBWXAEFAOVMT-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6(8-4-5-9(11)15-8)12-7(2)10(13)14-3/h4-7,12H,1-3H3/t6?,7-/m0/s1.
What are the key properties of methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate?
methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate has a molecular weight of 276.13 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[1-(5-bromofuran-2-yl)ethylamino]propanoate is sourced from PubChem (CID 104652541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).