2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid

C9H10N2O3 — CID 62306859

IUPAC2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
SMILESCc1cccc(CNC(=O)C(=O)O)n1
InChIInChI=1S/C9H10N2O3/c1-6-3-2-4-7(11-6)5-10-8(12)9(13)14/h2-4H,5H2,1H3,(H,10,12)(H,13,14)
InChIKeyHUYAMLKSMRXQLS-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.09
Rot. Bonds2

About 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid

2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid (PubChem CID 62306859) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
PubChem CID62306859
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid
SMILESCc1cccc(CNC(=O)C(=O)O)n1
InChIInChI=1S/C9H10N2O3/c1-6-3-2-4-7(11-6)5-10-8(12)9(13)14/h2-4H,5H2,1H3,(H,10,12)(H,13,14)
InChIKeyHUYAMLKSMRXQLS-UHFFFAOYSA-N
XLogP0.09
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]pent-2-enamide
CID 86824305
3-amino-N-[(6-methyl-2-pyridinyl)methyl]-3-sulfanylidenepropanamide
CID 62306669
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
2-[2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoethoxy]acetic acid
CID 62323721
2,2-dimethyl-4-[(6-methyl-2-pyridinyl)methylamino]-4-oxobutanoic acid
CID 65300352
N-[(6-methyl-2-pyridinyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 86841366
2-methoxy-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 112686238
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 87041318
tert-butyl N-[(6-methyl-2-pyridinyl)methyl]carbamate
CID 63788697
4-hydroxy-N-[(6-methyl-2-pyridinyl)methyl]benzamide
CID 62307538
(2S)-2-amino-N-[(6-methyl-2-pyridinyl)methyl]butanamide
CID 79022904
3-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2-sulfanylbutanamide
CID 107028117

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid (CID 62306859) is 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid is Cc1cccc(CNC(=O)C(=O)O)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid?
The InChIKey is HUYAMLKSMRXQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-6-3-2-4-7(11-6)5-10-8(12)9(13)14/h2-4H,5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid?
2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid has a molecular weight of 194.19 g/mol, XLogP of 0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methylamino]-2-oxoacetic acid is sourced from PubChem (CID 62306859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).