3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide

C9H11BrN2O3 — CID 171869258

IUPAC3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(N)c(Br)c1
InChIInChI=1S/C9H11BrN2O3/c10-5-3-4(1-2-6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,11H2,(H2,12,15)
InChIKeyNJUBJARMQHAMSL-UHFFFAOYSA-N
MW275.10 g/mol
LogP-0.09
Rot. Bonds3

About 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide

3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide (PubChem CID 171869258) has the molecular formula C9H11BrN2O3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
PubChem CID171869258
Molecular FormulaC9H11BrN2O3
Molecular Weight275.10 g/mol
Exact Mass274.00
IUPAC Name3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide
SMILESNC(=O)C(O)C(O)c1ccc(N)c(Br)c1
InChIInChI=1S/C9H11BrN2O3/c10-5-3-4(1-2-6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,11H2,(H2,12,15)
InChIKeyNJUBJARMQHAMSL-UHFFFAOYSA-N
XLogP-0.09
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-5-(3-amino-1,2-dihydroxy-3-oxopropyl)benzoate
CID 171868834
3-(3-amino-4-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867878
4-(4-amino-3-bromophenyl)-3,4-dihydroxybutanoic acid
CID 171878770
3-(3-bromophenyl)-2,3-dihydroxypropanamide
CID 171869213
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589
3-(3-amino-1H-indazol-6-yl)-2,3-dihydroxypropanamide
CID 171868406
4-(1-amino-2,2-dimethylpropyl)-2-bromoaniline
CID 130043041
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroxypropanamide
CID 171868354
2,3-dihydroxy-3-(4-nitrophenyl)propanamide
CID 171868264
2,3-dihydroxy-3-(4-phenylphenyl)propanamide
CID 171868964
(2R)-2-amino-2-(4-amino-3-bromophenyl)ethanol
CID 131128793
3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropanamide
CID 171867868

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide (CID 171869258) is 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide is NC(=O)C(O)C(O)c1ccc(N)c(Br)c1.
What is the InChIKey of 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide?
The InChIKey is NJUBJARMQHAMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O3/c10-5-3-4(1-2-6(5)11)7(13)8(14)9(12)15/h1-3,7-8,13-14H,11H2,(H2,12,15).
What are the key properties of 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide?
3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide has a molecular weight of 275.10 g/mol, XLogP of -0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-bromophenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171869258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).