2,3-diamino-3-(4-bromophenyl)propanoic acid

C9H11BrN2O2 — CID 116942182

IUPAC2,3-diamino-3-(4-bromophenyl)propanoic acid
SMILESNC(C(=O)O)C(N)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)
InChIKeyYNWUJFLQVHQWFF-UHFFFAOYSA-N
MW259.10 g/mol
LogP0.86
Rot. Bonds3

About 2,3-diamino-3-(4-bromophenyl)propanoic acid

2,3-diamino-3-(4-bromophenyl)propanoic acid (PubChem CID 116942182) has the molecular formula C9H11BrN2O2 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2,3-diamino-3-(4-bromophenyl)propanoic acid.

Molecular Properties

Compound Name2,3-diamino-3-(4-bromophenyl)propanoic acid
PubChem CID116942182
Molecular FormulaC9H11BrN2O2
Molecular Weight259.10 g/mol
Exact Mass258.00
IUPAC Name2,3-diamino-3-(4-bromophenyl)propanoic acid
SMILESNC(C(=O)O)C(N)c1ccc(Br)cc1
InChIInChI=1S/C9H11BrN2O2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14)
InChIKeyYNWUJFLQVHQWFF-UHFFFAOYSA-N
XLogP0.86
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-diamino-3-(4-fluorophenyl)propanoic acid
CID 11019837
2,3-diamino-3-(3-bromophenyl)propanoic acid
CID 116942287
2-amino-3-(4-bromophenyl)-3-(methylamino)propanoic acid
CID 116957325
2,3-diamino-3-(4-propan-2-ylsulfanylphenyl)propanoic acid
CID 116942259
(1R,2R)-1-amino-1-(4-bromophenyl)propan-2-ol
CID 59069368
4-[amino-(4-bromophenyl)methyl]benzoic acid
CID 116938745
2-amino-2-(4-bromophenyl)acetamide;ethane
CID 163255777
2,3-diamino-3-(1H-pyrrol-3-yl)propanoic acid
CID 116942235
(2R)-2-amino-4-(4-bromophenyl)-4-oxobutanoic acid
CID 94771214
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
(4-bromophenyl)methanediamine
CID 68740698
2,3-diamino-3-(1,3-benzodioxol-5-yl)propanoic acid
CID 22326283

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-3-(4-bromophenyl)propanoic acid?
The IUPAC name of 2,3-diamino-3-(4-bromophenyl)propanoic acid (CID 116942182) is 2,3-diamino-3-(4-bromophenyl)propanoic acid.
What is the SMILES notation for 2,3-diamino-3-(4-bromophenyl)propanoic acid?
The canonical SMILES for 2,3-diamino-3-(4-bromophenyl)propanoic acid is NC(C(=O)O)C(N)c1ccc(Br)cc1.
What is the InChIKey of 2,3-diamino-3-(4-bromophenyl)propanoic acid?
The InChIKey is YNWUJFLQVHQWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O2/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8H,11-12H2,(H,13,14).
What are the key properties of 2,3-diamino-3-(4-bromophenyl)propanoic acid?
2,3-diamino-3-(4-bromophenyl)propanoic acid has a molecular weight of 259.10 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-3-(4-bromophenyl)propanoic acid is sourced from PubChem (CID 116942182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).