3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid

C9H10N2O3 — CID 68925502

IUPAC3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid
SMILESCOc1cnc(C=CC(=O)O)c(N)c1
InChIInChI=1S/C9H10N2O3/c1-14-6-4-7(10)8(11-5-6)2-3-9(12)13/h2-5H,10H2,1H3,(H,12,13)
InChIKeyATXYYOKQVQHKSJ-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.77
Rot. Bonds3

About 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid

3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid (PubChem CID 68925502) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid
PubChem CID68925502
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid
SMILESCOc1cnc(C=CC(=O)O)c(N)c1
InChIInChI=1S/C9H10N2O3/c1-14-6-4-7(10)8(11-5-6)2-3-9(12)13/h2-5H,10H2,1H3,(H,12,13)
InChIKeyATXYYOKQVQHKSJ-UHFFFAOYSA-N
XLogP0.77
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.77
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

3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoic acid
CID 68928398
(E)-3-(1-ethyl-5-methoxypyrrolo[2,3-b]pyridin-2-yl)prop-2-enoic acid
CID 143445377
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;ethane
CID 142856131
(E)-3-(3,5-dimethoxyphenyl)prop-2-enoic acid;methane
CID 134814304
(E)-but-2-enedioic acid;6-methoxyquinolin-4-amine
CID 87801911
(E)-3-(2,6-dichloro-4-methoxyphenyl)prop-2-enoic acid
CID 99769967
(E)-3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoic acid
CID 23143267
3-(5-amino-6-fluoro-3-pyridinyl)prop-2-enoic acid
CID 169460285
(E)-3-(3-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 22928735
3-(6-methoxy-5-methyl-3-pyridinyl)prop-2-enoic acid
CID 169460544
3-bromo-5-methoxypyridine-2-carbaldehyde
CID 83886920
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid (CID 68925502) is 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid is COc1cnc(C=CC(=O)O)c(N)c1.
What is the InChIKey of 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid?
The InChIKey is ATXYYOKQVQHKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-14-6-4-7(10)8(11-5-6)2-3-9(12)13/h2-5H,10H2,1H3,(H,12,13).
What are the key properties of 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid?
3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid has a molecular weight of 194.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-5-methoxy-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 68925502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).