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

C10H12BrNO3 — CID 110209426

IUPACmethyl 3-amino-2-(4-bromophenoxy)propanoate
SMILESCOC(=O)C(CN)Oc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-14-10(13)9(6-12)15-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3
InChIKeyAVUHNQLIRTYAKN-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.33
Rot. Bonds4

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

methyl 3-amino-2-(4-bromophenoxy)propanoate (PubChem CID 110209426) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is methyl 3-amino-2-(4-bromophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-amino-2-(4-bromophenoxy)propanoate
PubChem CID110209426
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Namemethyl 3-amino-2-(4-bromophenoxy)propanoate
SMILESCOC(=O)C(CN)Oc1ccc(Br)cc1
InChIInChI=1S/C10H12BrNO3/c1-14-10(13)9(6-12)15-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3
InChIKeyAVUHNQLIRTYAKN-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-bromo-2-(4-bromophenoxy)acetate
CID 154287154
methyl 2-amino-3-(4-bromophenoxy)butanoate
CID 86263225
(2S)-2-(4-bromophenoxy)butanoic acid
CID 7832525
methyl 2-(4-bromophenoxy)but-3-enoate
CID 132597597
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
3-(4-bromophenoxy)oxolan-2-one;methyl 2-(4-bromophenoxy)-4-hydroxybutanoate
CID 159914237
methyl 3-amino-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]propanoate
CID 114242135
(2R)-2-(4-bromophenoxy)propanamide
CID 974910
N-(1-aminopropan-2-yl)-2-(4-bromophenoxy)-N-methylpropanamide
CID 119584955
[3-acetyloxy-2-(4-bromophenoxy)propyl] acetate
CID 125479775
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144
[(2S)-2-(4-bromophenoxy)propyl]carbamic acid
CID 68731194

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(4-bromophenoxy)propanoate?
The IUPAC name of methyl 3-amino-2-(4-bromophenoxy)propanoate (CID 110209426) is methyl 3-amino-2-(4-bromophenoxy)propanoate.
What is the SMILES notation for methyl 3-amino-2-(4-bromophenoxy)propanoate?
The canonical SMILES for methyl 3-amino-2-(4-bromophenoxy)propanoate is COC(=O)C(CN)Oc1ccc(Br)cc1.
What is the InChIKey of methyl 3-amino-2-(4-bromophenoxy)propanoate?
The InChIKey is AVUHNQLIRTYAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c1-14-10(13)9(6-12)15-8-4-2-7(11)3-5-8/h2-5,9H,6,12H2,1H3.
What are the key properties of methyl 3-amino-2-(4-bromophenoxy)propanoate?
methyl 3-amino-2-(4-bromophenoxy)propanoate has a molecular weight of 274.11 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(4-bromophenoxy)propanoate is sourced from PubChem (CID 110209426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).