2-amino-2-pyridin-3-ylacetic acid

C7H8N2O2 — CID 5057699

IUPAC2-amino-2-pyridin-3-ylacetic acid
SMILESNC(C(=O)O)c1cccnc1
InChIInChI=1S/C7H8N2O2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,8H2,(H,10,11)
InChIKeyWJKDJKGHCRHSLB-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.17
Rot. Bonds2

About 2-amino-2-pyridin-3-ylacetic acid

2-amino-2-pyridin-3-ylacetic acid (PubChem CID 5057699) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 2-amino-2-pyridin-3-ylacetic acid.

Molecular Properties

Compound Name2-amino-2-pyridin-3-ylacetic acid
PubChem CID5057699
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name2-amino-2-pyridin-3-ylacetic acid
SMILESNC(C(=O)O)c1cccnc1
InChIInChI=1S/C7H8N2O2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,8H2,(H,10,11)
InChIKeyWJKDJKGHCRHSLB-UHFFFAOYSA-N
XLogP0.17
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-pyridin-3-ylacetic acid?
The IUPAC name of 2-amino-2-pyridin-3-ylacetic acid (CID 5057699) is 2-amino-2-pyridin-3-ylacetic acid.
What is the SMILES notation for 2-amino-2-pyridin-3-ylacetic acid?
The canonical SMILES for 2-amino-2-pyridin-3-ylacetic acid is NC(C(=O)O)c1cccnc1.
What is the InChIKey of 2-amino-2-pyridin-3-ylacetic acid?
The InChIKey is WJKDJKGHCRHSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-6(7(10)11)5-2-1-3-9-4-5/h1-4,6H,8H2,(H,10,11).
What are the key properties of 2-amino-2-pyridin-3-ylacetic acid?
2-amino-2-pyridin-3-ylacetic acid has a molecular weight of 152.15 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-pyridin-3-ylacetic acid is sourced from PubChem (CID 5057699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).