2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide

C9H13BrN2O2 — CID 174991066

IUPAC2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
SMILESBr.NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H12N2O2.BrH/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;/h1-4,8,12H,5,10H2,(H2,11,13);1H
InChIKeyBOWGIBPKWVKHTA-UHFFFAOYSA-N
MW261.12 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide

2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide (PubChem CID 174991066) has the molecular formula C9H13BrN2O2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide.

Molecular Properties

Compound Name2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
PubChem CID174991066
Molecular FormulaC9H13BrN2O2
Molecular Weight261.12 g/mol
Exact Mass260.02
IUPAC Name2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
SMILESBr.NC(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C9H12N2O2.BrH/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;/h1-4,8,12H,5,10H2,(H2,11,13);1H
InChIKeyBOWGIBPKWVKHTA-UHFFFAOYSA-N
XLogP0.33
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
bis(2-amino-3-(4-hydroxyphenyl)propanamide);2-amino-3-(4-hydroxyphenyl)propanoic acid
CID 67902185
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-amino-3-phenylpropanamide
CID 67854900
2-amino-3-(4-hydroxyphenyl)propanoic acid;urea
CID 18402054
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrate
CID 66692874
2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrazine
CID 22117080
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide?
The IUPAC name of 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide (CID 174991066) is 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide.
What is the SMILES notation for 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide?
The canonical SMILES for 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide is Br.NC(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide?
The InChIKey is BOWGIBPKWVKHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2.BrH/c10-8(9(11)13)5-6-1-3-7(12)4-2-6;/h1-4,8,12H,5,10H2,(H2,11,13);1H.
What are the key properties of 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide?
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide has a molecular weight of 261.12 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide is sourced from PubChem (CID 174991066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).