3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid

C8H10BrN3O2 — CID 130492216

IUPAC3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
SMILESNCC(Nc1cncc(Br)c1)C(=O)O
InChIInChI=1S/C8H10BrN3O2/c9-5-1-6(4-11-3-5)12-7(2-10)8(13)14/h1,3-4,7,12H,2,10H2,(H,13,14)
InChIKeyZHMZRXPLJZNXSJ-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.67
Rot. Bonds4

About 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid

3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid (PubChem CID 130492216) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
PubChem CID130492216
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid
SMILESNCC(Nc1cncc(Br)c1)C(=O)O
InChIInChI=1S/C8H10BrN3O2/c9-5-1-6(4-11-3-5)12-7(2-10)8(13)14/h1,3-4,7,12H,2,10H2,(H,13,14)
InChIKeyZHMZRXPLJZNXSJ-UHFFFAOYSA-N
XLogP0.67
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(5-bromo-3-pyridinyl)amino]hexanoic acid
CID 122063013
(2R)-2-amino-N-(5-bromo-3-pyridinyl)-3-hydroxypropanamide
CID 135386318
(2S)-2-[(5-bromo-3-pyridinyl)carbamoylamino]-4-methylpentanoic acid
CID 114222532
3-amino-2-(3,5-difluoroanilino)propanoic acid
CID 130492143
2-[(5-bromo-3-pyridinyl)amino]acetic acid;hydrochloride
CID 131877177
5-bromo-N-pentan-3-ylpyridin-3-amine
CID 115620552
3-[(5-bromo-3-pyridinyl)amino]-2-methylbutan-2-ol
CID 130486029
2-[(5-bromopyridine-3-carbonyl)amino]pentanoic acid
CID 43630361
2-[(5-bromo-3-pyridinyl)amino]-2-(4-chlorophenyl)acetamide
CID 90041202
2-[2-(5-bromo-3-pyridinyl)hydrazinyl]-2-oxoacetic acid
CID 130609530
(2R)-2-[(5-bromopyridine-3-carbonyl)amino]propanoic acid
CID 28979301
N-(1-amino-3-methylbutan-2-yl)-5-bromopyridine-3-carboxamide
CID 65191624

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid (CID 130492216) is 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid is NCC(Nc1cncc(Br)c1)C(=O)O.
What is the InChIKey of 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid?
The InChIKey is ZHMZRXPLJZNXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-5-1-6(4-11-3-5)12-7(2-10)8(13)14/h1,3-4,7,12H,2,10H2,(H,13,14).
What are the key properties of 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid?
3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid has a molecular weight of 260.09 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(5-bromo-3-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 130492216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).