methyl 2-amino-3-(4-bromophenoxy)butanoate

C11H14BrNO3 — CID 86263225

IUPACmethyl 2-amino-3-(4-bromophenoxy)butanoate
SMILESCOC(=O)C(N)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3/c1-7(10(13)11(14)15-2)16-9-5-3-8(12)4-6-9/h3-7,10H,13H2,1-2H3
InChIKeyJISKHCOKAYDXMH-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.72
Rot. Bonds4

About methyl 2-amino-3-(4-bromophenoxy)butanoate

methyl 2-amino-3-(4-bromophenoxy)butanoate (PubChem CID 86263225) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is methyl 2-amino-3-(4-bromophenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-bromophenoxy)butanoate
PubChem CID86263225
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Namemethyl 2-amino-3-(4-bromophenoxy)butanoate
SMILESCOC(=O)C(N)C(C)Oc1ccc(Br)cc1
InChIInChI=1S/C11H14BrNO3/c1-7(10(13)11(14)15-2)16-9-5-3-8(12)4-6-9/h3-7,10H,13H2,1-2H3
InChIKeyJISKHCOKAYDXMH-UHFFFAOYSA-N
XLogP1.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-2-(4-bromophenoxy)acetate
CID 154287154
methyl 3-amino-2-(4-bromophenoxy)propanoate
CID 110209426
methyl (2R,3S)-2-amino-3-(4-bromophenyl)-3-hydroxypropanoate
CID 14314190
methyl 2-(4-bromophenoxy)but-3-enoate
CID 132597597
ethyl 3-(4-bromophenoxy)-2-methylbutanoate
CID 146594180
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
methyl (3R)-2-amino-3-methoxybutanoate
CID 87094409
methyl 2-amino-3-(2-chlorophenoxy)butanoate
CID 86263211
methyl (2R,3S)-2-amino-3-(2-chlorophenoxy)butanoate
CID 99737716
(4-bromophenoxy)-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]-oxophosphanium
CID 90160123
[(2S)-2-(4-bromophenoxy)propyl]carbamic acid
CID 68731194
ethyl 2-(4-bromophenoxy)-3-methylbutanoate
CID 53269458

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-bromophenoxy)butanoate?
The IUPAC name of methyl 2-amino-3-(4-bromophenoxy)butanoate (CID 86263225) is methyl 2-amino-3-(4-bromophenoxy)butanoate.
What is the SMILES notation for methyl 2-amino-3-(4-bromophenoxy)butanoate?
The canonical SMILES for methyl 2-amino-3-(4-bromophenoxy)butanoate is COC(=O)C(N)C(C)Oc1ccc(Br)cc1.
What is the InChIKey of methyl 2-amino-3-(4-bromophenoxy)butanoate?
The InChIKey is JISKHCOKAYDXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(10(13)11(14)15-2)16-9-5-3-8(12)4-6-9/h3-7,10H,13H2,1-2H3.
What are the key properties of methyl 2-amino-3-(4-bromophenoxy)butanoate?
methyl 2-amino-3-(4-bromophenoxy)butanoate has a molecular weight of 288.14 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-bromophenoxy)butanoate is sourced from PubChem (CID 86263225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).