bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

C9H10BrNO3 — CID 56980612

IUPACbromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)OBr
InChIInChI=1S/C9H10BrNO3/c10-14-9(13)8(11)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,11H2/t8-/m0/s1
InChIKeyOODWNUXXBXDNCH-QMMMGPOBSA-N
MW260.09 g/mol
LogP1.12
Rot. Bonds3

About bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate

bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 56980612) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namebromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID56980612
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namebromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
SMILESN[C@@H](Cc1ccc(O)cc1)C(=O)OBr
InChIInChI=1S/C9H10BrNO3/c10-14-9(13)8(11)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,11H2/t8-/m0/s1
InChIKeyOODWNUXXBXDNCH-QMMMGPOBSA-N
XLogP1.12
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
carbamoyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 54129194
acetyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 22287971
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570
[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl] 2-methylpropanoate
CID 57233650
[deuterio(fluoro)methyl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87058877
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066

Frequently Asked Questions

What is the IUPAC name of bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate (CID 56980612) is bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is N[C@@H](Cc1ccc(O)cc1)C(=O)OBr.
What is the InChIKey of bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is OODWNUXXBXDNCH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10BrNO3/c10-14-9(13)8(11)5-6-1-3-7(12)4-2-6/h1-4,8,12H,5,11H2/t8-/m0/s1.
What are the key properties of bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate?
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 260.09 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 56980612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).