6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid

C9H11N3O4 — CID 165355758

IUPAC6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid
SMILESCC(N)(C(=O)O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C9H11N3O4/c1-9(11,8(15)16)5-2-4(7(13)14)3-12-6(5)10/h2-3H,11H2,1H3,(H2,10,12)(H,13,14)(H,15,16)
InChIKeyQGDUESALLJASBB-UHFFFAOYSA-N
MW225.20 g/mol
LogP-0.38
Rot. Bonds3

About 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid

6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid (PubChem CID 165355758) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid
PubChem CID165355758
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid
SMILESCC(N)(C(=O)O)c1cc(C(=O)O)cnc1N
InChIInChI=1S/C9H11N3O4/c1-9(11,8(15)16)5-2-4(7(13)14)3-12-6(5)10/h2-3H,11H2,1H3,(H2,10,12)(H,13,14)(H,15,16)
InChIKeyQGDUESALLJASBB-UHFFFAOYSA-N
XLogP-0.38
TPSA139.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid (CID 165355758) is 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid is CC(N)(C(=O)O)c1cc(C(=O)O)cnc1N.
What is the InChIKey of 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid?
The InChIKey is QGDUESALLJASBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-9(11,8(15)16)5-2-4(7(13)14)3-12-6(5)10/h2-3H,11H2,1H3,(H2,10,12)(H,13,14)(H,15,16).
What are the key properties of 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid?
6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of -0.38, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1-amino-1-carboxyethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 165355758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).