3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid

C11H13NO4 — CID 22717208

IUPAC3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(CCC(=O)O)n1
InChIInChI=1S/C11H13NO4/c13-10(14)6-4-8-2-1-3-9(12-8)5-7-11(15)16/h1-3H,4-7H2,(H,13,14)(H,15,16)
InChIKeyDTMFRAPUAGTYSM-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.12
Rot. Bonds6

About 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid

3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid (PubChem CID 22717208) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
PubChem CID22717208
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid
SMILESO=C(O)CCc1cccc(CCC(=O)O)n1
InChIInChI=1S/C11H13NO4/c13-10(14)6-4-8-2-1-3-9(12-8)5-7-11(15)16/h1-3H,4-7H2,(H,13,14)(H,15,16)
InChIKeyDTMFRAPUAGTYSM-UHFFFAOYSA-N
XLogP1.12
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid?
The IUPAC name of 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid (CID 22717208) is 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid is O=C(O)CCc1cccc(CCC(=O)O)n1.
What is the InChIKey of 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid?
The InChIKey is DTMFRAPUAGTYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c13-10(14)6-4-8-2-1-3-9(12-8)5-7-11(15)16/h1-3H,4-7H2,(H,13,14)(H,15,16).
What are the key properties of 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid?
3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-carboxyethyl)-2-pyridinyl]propanoic acid is sourced from PubChem (CID 22717208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).