(3-bromophenyl)methyl (2R)-2-aminobutanoate

C11H14BrNO2 — CID 82823732

IUPAC(3-bromophenyl)methyl (2R)-2-aminobutanoate
SMILESCC[C@@H](N)C(=O)OCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-2-10(13)11(14)15-7-8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3/t10-/m1/s1
InChIKeyLIFFGRCXEXSEIS-SNVBAGLBSA-N
MW272.14 g/mol
LogP2.23
Rot. Bonds4

About (3-bromophenyl)methyl (2R)-2-aminobutanoate

(3-bromophenyl)methyl (2R)-2-aminobutanoate (PubChem CID 82823732) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (3-bromophenyl)methyl (2R)-2-aminobutanoate.

Molecular Properties

Compound Name(3-bromophenyl)methyl (2R)-2-aminobutanoate
PubChem CID82823732
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(3-bromophenyl)methyl (2R)-2-aminobutanoate
SMILESCC[C@@H](N)C(=O)OCc1cccc(Br)c1
InChIInChI=1S/C11H14BrNO2/c1-2-10(13)11(14)15-7-8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3/t10-/m1/s1
InChIKeyLIFFGRCXEXSEIS-SNVBAGLBSA-N
XLogP2.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromophenyl)methyl 2-aminopentanoate
CID 82824771
(3-bromophenyl)methyl (2S)-2-amino-4-phenylbutanoate
CID 104983564
(3-bromophenyl)methyl (2R)-2-amino-3,3-dimethylbutanoate
CID 113353141
(2S)-2-amino-N-[(3-bromophenyl)methyl]butanamide;hydrochloride
CID 119279834
(3-bromophenyl)methyl 3-oxobutanoate
CID 138594120
ethyl 2-[(3-bromophenyl)methoxy]propanoate
CID 82827861
bis[(3-bromophenyl)methyl] pentanedioate
CID 91708477
(3-bromophenyl)methyl prop-2-ynoate
CID 175311975
(3-bromophenyl)methyl 3-amino-3-methylbutanoate
CID 82824054
2-[(3-bromophenyl)methoxy]propanoic acid
CID 82828681
(2S)-2-[(3-bromophenyl)methoxy]propanoic acid
CID 104875834
(3-bromophenyl)methyl (2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoate
CID 7573218

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)methyl (2R)-2-aminobutanoate?
The IUPAC name of (3-bromophenyl)methyl (2R)-2-aminobutanoate (CID 82823732) is (3-bromophenyl)methyl (2R)-2-aminobutanoate.
What is the SMILES notation for (3-bromophenyl)methyl (2R)-2-aminobutanoate?
The canonical SMILES for (3-bromophenyl)methyl (2R)-2-aminobutanoate is CC[C@@H](N)C(=O)OCc1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)methyl (2R)-2-aminobutanoate?
The InChIKey is LIFFGRCXEXSEIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-2-10(13)11(14)15-7-8-4-3-5-9(12)6-8/h3-6,10H,2,7,13H2,1H3/t10-/m1/s1.
What are the key properties of (3-bromophenyl)methyl (2R)-2-aminobutanoate?
(3-bromophenyl)methyl (2R)-2-aminobutanoate has a molecular weight of 272.14 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)methyl (2R)-2-aminobutanoate is sourced from PubChem (CID 82823732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).