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

C8H10N2O3 — CID 18718030

IUPAC2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid
SMILESCNc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-9-6-3-2-4-10(8(6)13)5-7(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyUMJWSXRNCOSOEJ-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.03
Rot. Bonds3

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

2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid (PubChem CID 18718030) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid
PubChem CID18718030
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid
SMILESCNc1cccn(CC(=O)O)c1=O
InChIInChI=1S/C8H10N2O3/c1-9-6-3-2-4-10(8(6)13)5-7(11)12/h2-4,9H,5H2,1H3,(H,11,12)
InChIKeyUMJWSXRNCOSOEJ-UHFFFAOYSA-N
XLogP-0.03
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid (CID 18718030) is 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid is CNc1cccn(CC(=O)O)c1=O.
What is the InChIKey of 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is UMJWSXRNCOSOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9-6-3-2-4-10(8(6)13)5-7(11)12/h2-4,9H,5H2,1H3,(H,11,12).
What are the key properties of 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid?
2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 182.18 g/mol, XLogP of -0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 18718030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).