3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid

C11H14N2O4 — CID 114898125

IUPAC3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
SMILESCOc1ncccc1CNC(=O)C(C)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(11(15)16)9(14)13-6-8-4-3-5-12-10(8)17-2/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNTMZNULZDONBQV-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.43
Rot. Bonds5

About 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid

3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid (PubChem CID 114898125) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
PubChem CID114898125
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid
SMILESCOc1ncccc1CNC(=O)C(C)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7(11(15)16)9(14)13-6-8-4-3-5-12-10(8)17-2/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyNTMZNULZDONBQV-UHFFFAOYSA-N
XLogP0.43
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylbutanamide
CID 79012949
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-3-(methylamino)propanamide
CID 79196113
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 47035760
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]-3-phenylpropanamide
CID 60857697
2-(azetidin-3-yl)-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 116675894
(2S)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795520
(2R)-2-butoxy-N-[(2-methoxy-3-pyridinyl)methyl]propanamide
CID 94795522
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]butanediamide
CID 54927008
1-[(2-methoxy-3-pyridinyl)methyl]-3-(3-methylbutyl)urea
CID 47164188
(2R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 37247400
N-[2-[(2-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-2-phenylacetamide
CID 37486176
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid (CID 114898125) is 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid is COc1ncccc1CNC(=O)C(C)C(=O)O.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid?
The InChIKey is NTMZNULZDONBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7(11(15)16)9(14)13-6-8-4-3-5-12-10(8)17-2/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid?
3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-3-pyridinyl)methylamino]-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 114898125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).