(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate

C11H14BrNO3 — CID 82823628

IUPAC(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate
SMILESNC(CCO)C(=O)OCc1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(13)5-6-14/h1-4,10,14H,5-7,13H2
InChIKeyURFBJOJEOJYQQM-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.20
Rot. Bonds5

About (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate

(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate (PubChem CID 82823628) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate.

Molecular Properties

Compound Name(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate
PubChem CID82823628
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC Name(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate
SMILESNC(CCO)C(=O)OCc1ccccc1Br
InChIInChI=1S/C11H14BrNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(13)5-6-14/h1-4,10,14H,5-7,13H2
InChIKeyURFBJOJEOJYQQM-UHFFFAOYSA-N
XLogP1.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-chlorophenyl)methyl (2S)-2-amino-4-hydroxybutanoate
CID 107825335
(2-bromophenyl)methyl (2S)-2-aminopropanoate
CID 82823528
benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
(2-bromophenyl)methyl 3-amino-2,3-dimethylbutanoate
CID 102132563
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
(2-bromophenyl)methyl 4-chlorobenzoate
CID 102346194
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
1-O-[(2-bromophenyl)methyl] 5-O-(2-methylpropyl) pentanedioate
CID 91708623
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
[2-[[(2R)-2-amino-3-phenylpropanoyl]oxymethyl]phenyl]methyl (2R)-2-amino-3-phenylpropanoate
CID 102020431
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate?
The IUPAC name of (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate (CID 82823628) is (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate.
What is the SMILES notation for (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate?
The canonical SMILES for (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate is NC(CCO)C(=O)OCc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate?
The InChIKey is URFBJOJEOJYQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c12-9-4-2-1-3-8(9)7-16-11(15)10(13)5-6-14/h1-4,10,14H,5-7,13H2.
What are the key properties of (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate?
(2-bromophenyl)methyl 2-amino-4-hydroxybutanoate has a molecular weight of 288.14 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl 2-amino-4-hydroxybutanoate is sourced from PubChem (CID 82823628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).