(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate

C11H14BrNO3 — CID 82823326

IUPAC(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCC(O)(CN)C(=O)OCc1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c1-11(15,7-13)10(14)16-6-8-4-2-3-5-9(8)12/h2-5,15H,6-7,13H2,1H3
InChIKeyRPKSYYQXBXCOBF-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.20
Rot. Bonds4

About (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate

(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate (PubChem CID 82823326) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
PubChem CID82823326
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
SMILESCC(O)(CN)C(=O)OCc1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c1-11(15,7-13)10(14)16-6-8-4-2-3-5-9(8)12/h2-5,15H,6-7,13H2,1H3
InChIKeyRPKSYYQXBXCOBF-UHFFFAOYSA-N
XLogP1.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-bromophenyl)methyl 3-amino-2,3-dimethylbutanoate
CID 102132563
(2-bromophenyl)methyl 2-[(2-methylpropan-2-yl)oxy]acetate
CID 23518844
(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528
(2-bromophenyl)methyl 2-(methylamino)acetate
CID 82824076
(4-methoxyphenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate
CID 66172841
1-bromo-2-[(2-methylpropan-2-yl)oxymethyl]benzene
CID 58013688
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
diethyl 2-bromo-2-[(2-bromophenyl)methyl]propanedioate
CID 175600018
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
(2-bromophenyl)methyl 4-(2-aminoethyl)benzoate
CID 82824669
(2-bromophenyl)methyl 1-(aminomethyl)cyclohexane-1-carboxylate
CID 82823967
(2-bromophenyl)methyl 3-(propan-2-ylamino)propanoate
CID 82824277

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
The IUPAC name of (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate (CID 82823326) is (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate.
What is the SMILES notation for (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
The canonical SMILES for (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate is CC(O)(CN)C(=O)OCc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
The InChIKey is RPKSYYQXBXCOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-11(15,7-13)10(14)16-6-8-4-2-3-5-9(8)12/h2-5,15H,6-7,13H2,1H3.
What are the key properties of (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate?
(2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate has a molecular weight of 288.14 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 3-amino-2-hydroxy-2-methylpropanoate is sourced from PubChem (CID 82823326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).