3-amino-3-(2-amino-4-pyridinyl)butanoic acid

C9H13N3O2 — CID 55268845

IUPAC3-amino-3-(2-amino-4-pyridinyl)butanoic acid
SMILESCC(N)(CC(=O)O)c1ccnc(N)c1
InChIInChI=1S/C9H13N3O2/c1-9(11,5-8(13)14)6-2-3-12-7(10)4-6/h2-4H,5,11H2,1H3,(H2,10,12)(H,13,14)
InChIKeyVYFQOHXONAAIMX-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.31
Rot. Bonds3

About 3-amino-3-(2-amino-4-pyridinyl)butanoic acid

3-amino-3-(2-amino-4-pyridinyl)butanoic acid (PubChem CID 55268845) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-amino-3-(2-amino-4-pyridinyl)butanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-amino-4-pyridinyl)butanoic acid
PubChem CID55268845
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-amino-3-(2-amino-4-pyridinyl)butanoic acid
SMILESCC(N)(CC(=O)O)c1ccnc(N)c1
InChIInChI=1S/C9H13N3O2/c1-9(11,5-8(13)14)6-2-3-12-7(10)4-6/h2-4H,5,11H2,1H3,(H2,10,12)(H,13,14)
InChIKeyVYFQOHXONAAIMX-UHFFFAOYSA-N
XLogP0.31
TPSA102.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-amino-4-pyridinyl)butanoic acid?
The IUPAC name of 3-amino-3-(2-amino-4-pyridinyl)butanoic acid (CID 55268845) is 3-amino-3-(2-amino-4-pyridinyl)butanoic acid.
What is the SMILES notation for 3-amino-3-(2-amino-4-pyridinyl)butanoic acid?
The canonical SMILES for 3-amino-3-(2-amino-4-pyridinyl)butanoic acid is CC(N)(CC(=O)O)c1ccnc(N)c1.
What is the InChIKey of 3-amino-3-(2-amino-4-pyridinyl)butanoic acid?
The InChIKey is VYFQOHXONAAIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(11,5-8(13)14)6-2-3-12-7(10)4-6/h2-4H,5,11H2,1H3,(H2,10,12)(H,13,14).
What are the key properties of 3-amino-3-(2-amino-4-pyridinyl)butanoic acid?
3-amino-3-(2-amino-4-pyridinyl)butanoic acid has a molecular weight of 195.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-amino-4-pyridinyl)butanoic acid is sourced from PubChem (CID 55268845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).