3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid

C10H12N2O3 — CID 122442933

IUPAC3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid
SMILESCOc1ncccc1NC(C)=CC(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(6-9(13)14)12-8-4-3-5-11-10(8)15-2/h3-6,12H,1-2H3,(H,13,14)
InChIKeyIDEZYAMZOIWZAU-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.49
Rot. Bonds4

About 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid

3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid (PubChem CID 122442933) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid
PubChem CID122442933
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid
SMILESCOc1ncccc1NC(C)=CC(=O)O
InChIInChI=1S/C10H12N2O3/c1-7(6-9(13)14)12-8-4-3-5-11-10(8)15-2/h3-6,12H,1-2H3,(H,13,14)
InChIKeyIDEZYAMZOIWZAU-UHFFFAOYSA-N
XLogP1.49
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-N-(2-methoxy-3-pyridinyl)acetamide
CID 126992524
7-amino-N-(2-methoxy-3-pyridinyl)heptanamide
CID 43708890
2-(4-fluorophenyl)-N-(2-methoxy-3-pyridinyl)acetamide
CID 47043618
1-(2-methoxy-3-pyridinyl)-3-prop-2-ynylurea
CID 47042553
N-[2-(4-methoxyphenoxy)-3-pyridinyl]acetamide
CID 154411578
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
1-(2-methoxyethyl)-3-(2-methoxy-3-pyridinyl)urea
CID 47223034
3-chloro-N-(2-methoxy-3-pyridinyl)-2-methylpropanamide
CID 62727393
1-(2-methoxy-3-pyridinyl)-3-pyrrolidin-1-ylurea
CID 100763708
2-bromo-N-(2-methoxy-3-pyridinyl)butanamide
CID 62854131
1-(2-methoxy-3-pyridinyl)-3-(2-methylpropyl)urea
CID 47042582
N-(2-methoxy-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60973003

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid?
The IUPAC name of 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid (CID 122442933) is 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid.
What is the SMILES notation for 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid?
The canonical SMILES for 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid is COc1ncccc1NC(C)=CC(=O)O.
What is the InChIKey of 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid?
The InChIKey is IDEZYAMZOIWZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-7(6-9(13)14)12-8-4-3-5-11-10(8)15-2/h3-6,12H,1-2H3,(H,13,14).
What are the key properties of 3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid?
3-[(2-methoxy-3-pyridinyl)amino]but-2-enoic acid has a molecular weight of 208.22 g/mol, XLogP of 1.49, 4 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)amino]but-2-enoic acid is sourced from PubChem (CID 122442933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).