2-amino-3-pyridin-3-ylbutanoic acid

C9H12N2O2 — CID 83906430

IUPAC2-amino-3-pyridin-3-ylbutanoic acid
SMILESCC(c1cccnc1)C(N)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6(8(10)9(12)13)7-3-2-4-11-5-7/h2-6,8H,10H2,1H3,(H,12,13)
InChIKeyNHRLQUWJIIFEPU-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.60
Rot. Bonds3

About 2-amino-3-pyridin-3-ylbutanoic acid

2-amino-3-pyridin-3-ylbutanoic acid (PubChem CID 83906430) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-3-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name2-amino-3-pyridin-3-ylbutanoic acid
PubChem CID83906430
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-3-pyridin-3-ylbutanoic acid
SMILESCC(c1cccnc1)C(N)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6(8(10)9(12)13)7-3-2-4-11-5-7/h2-6,8H,10H2,1H3,(H,12,13)
InChIKeyNHRLQUWJIIFEPU-UHFFFAOYSA-N
XLogP0.60
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-pyridin-3-ylpropanehydrazide
CID 116843938

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-3-ylbutanoic acid?
The IUPAC name of 2-amino-3-pyridin-3-ylbutanoic acid (CID 83906430) is 2-amino-3-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 2-amino-3-pyridin-3-ylbutanoic acid?
The canonical SMILES for 2-amino-3-pyridin-3-ylbutanoic acid is CC(c1cccnc1)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-pyridin-3-ylbutanoic acid?
The InChIKey is NHRLQUWJIIFEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6(8(10)9(12)13)7-3-2-4-11-5-7/h2-6,8H,10H2,1H3,(H,12,13).
What are the key properties of 2-amino-3-pyridin-3-ylbutanoic acid?
2-amino-3-pyridin-3-ylbutanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 83906430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).