2-(6-carbamoyl-3-pyridinyl)acetic acid

C8H8N2O3 — CID 126836032

IUPAC2-(6-carbamoyl-3-pyridinyl)acetic acid
SMILESNC(=O)c1ccc(CC(=O)O)cn1
InChIInChI=1S/C8H8N2O3/c9-8(13)6-2-1-5(4-10-6)3-7(11)12/h1-2,4H,3H2,(H2,9,13)(H,11,12)
InChIKeyKYMSKWIIDCFTAL-UHFFFAOYSA-N
MW180.16 g/mol
LogP-0.19
Rot. Bonds3

About 2-(6-carbamoyl-3-pyridinyl)acetic acid

2-(6-carbamoyl-3-pyridinyl)acetic acid (PubChem CID 126836032) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is 2-(6-carbamoyl-3-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(6-carbamoyl-3-pyridinyl)acetic acid
PubChem CID126836032
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name2-(6-carbamoyl-3-pyridinyl)acetic acid
SMILESNC(=O)c1ccc(CC(=O)O)cn1
InChIInChI=1S/C8H8N2O3/c9-8(13)6-2-1-5(4-10-6)3-7(11)12/h1-2,4H,3H2,(H2,9,13)(H,11,12)
InChIKeyKYMSKWIIDCFTAL-UHFFFAOYSA-N
XLogP-0.19
TPSA93.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-carbamoyl-3-pyridinyl)acetic acid?
The IUPAC name of 2-(6-carbamoyl-3-pyridinyl)acetic acid (CID 126836032) is 2-(6-carbamoyl-3-pyridinyl)acetic acid.
What is the SMILES notation for 2-(6-carbamoyl-3-pyridinyl)acetic acid?
The canonical SMILES for 2-(6-carbamoyl-3-pyridinyl)acetic acid is NC(=O)c1ccc(CC(=O)O)cn1.
What is the InChIKey of 2-(6-carbamoyl-3-pyridinyl)acetic acid?
The InChIKey is KYMSKWIIDCFTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c9-8(13)6-2-1-5(4-10-6)3-7(11)12/h1-2,4H,3H2,(H2,9,13)(H,11,12).
What are the key properties of 2-(6-carbamoyl-3-pyridinyl)acetic acid?
2-(6-carbamoyl-3-pyridinyl)acetic acid has a molecular weight of 180.16 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-carbamoyl-3-pyridinyl)acetic acid is sourced from PubChem (CID 126836032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).