3-[amino(carboxy)methyl]pyridine-2-carboxylic acid

C8H8N2O4 — CID 55269011

IUPAC3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
SMILESNC(C(=O)O)c1cccnc1C(=O)O
InChIInChI=1S/C8H8N2O4/c9-5(7(11)12)4-2-1-3-10-6(4)8(13)14/h1-3,5H,9H2,(H,11,12)(H,13,14)
InChIKeyVDUOLGTXOUBRCG-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.14
Rot. Bonds3

About 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid

3-[amino(carboxy)methyl]pyridine-2-carboxylic acid (PubChem CID 55269011) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
PubChem CID55269011
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name3-[amino(carboxy)methyl]pyridine-2-carboxylic acid
SMILESNC(C(=O)O)c1cccnc1C(=O)O
InChIInChI=1S/C8H8N2O4/c9-5(7(11)12)4-2-1-3-10-6(4)8(13)14/h1-3,5H,9H2,(H,11,12)(H,13,14)
InChIKeyVDUOLGTXOUBRCG-UHFFFAOYSA-N
XLogP-0.14
TPSA113.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid (CID 55269011) is 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid is NC(C(=O)O)c1cccnc1C(=O)O.
What is the InChIKey of 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid?
The InChIKey is VDUOLGTXOUBRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c9-5(7(11)12)4-2-1-3-10-6(4)8(13)14/h1-3,5H,9H2,(H,11,12)(H,13,14).
What are the key properties of 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid?
3-[amino(carboxy)methyl]pyridine-2-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(carboxy)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 55269011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).