2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid

C11H12N2O4 — CID 112707991

IUPAC2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C11H12N2O4/c14-9(15)6-13-5-1-2-8(11(13)17)10(16)12-7-3-4-7/h1-2,5,7H,3-4,6H2,(H,12,16)(H,14,15)
InChIKeyZLXGTUZOUSFQFY-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.17
Rot. Bonds4

About 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid

2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 112707991) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID112707991
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(=O)NC2CC2)c1=O
InChIInChI=1S/C11H12N2O4/c14-9(15)6-13-5-1-2-8(11(13)17)10(16)12-7-3-4-7/h1-2,5,7H,3-4,6H2,(H,12,16)(H,14,15)
InChIKeyZLXGTUZOUSFQFY-UHFFFAOYSA-N
XLogP-0.17
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid (CID 112707991) is 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cccc(C(=O)NC2CC2)c1=O.
What is the InChIKey of 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is ZLXGTUZOUSFQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-9(15)6-13-5-1-2-8(11(13)17)10(16)12-7-3-4-7/h1-2,5,7H,3-4,6H2,(H,12,16)(H,14,15).
What are the key properties of 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 236.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 112707991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).