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

C12H14N2O4 — CID 110082553

IUPAC2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(=O)NCC2CC2)c1=O
InChIInChI=1S/C12H14N2O4/c15-10(16)7-14-5-1-2-9(12(14)18)11(17)13-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,13,17)(H,15,16)
InChIKeyVGTYVVYVDQVDEY-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.07
Rot. Bonds5

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

2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 110082553) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
PubChem CID110082553
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid
SMILESO=C(O)Cn1cccc(C(=O)NCC2CC2)c1=O
InChIInChI=1S/C12H14N2O4/c15-10(16)7-14-5-1-2-9(12(14)18)11(17)13-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,13,17)(H,15,16)
InChIKeyVGTYVVYVDQVDEY-UHFFFAOYSA-N
XLogP0.07
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid (CID 110082553) is 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid is O=C(O)Cn1cccc(C(=O)NCC2CC2)c1=O.
What is the InChIKey of 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is VGTYVVYVDQVDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c15-10(16)7-14-5-1-2-9(12(14)18)11(17)13-6-8-3-4-8/h1-2,5,8H,3-4,6-7H2,(H,13,17)(H,15,16).
What are the key properties of 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 250.25 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylmethylcarbamoyl)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 110082553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).