(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid

C11H14N2O3 — CID 103230745

IUPAC(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
SMILESCOc1ccc(NC/C=C(/C)C(=O)O)cn1
InChIInChI=1S/C11H14N2O3/c1-8(11(14)15)5-6-12-9-3-4-10(16-2)13-7-9/h3-5,7,12H,6H2,1-2H3,(H,14,15)/b8-5-
InChIKeyBLDNBEFRZUXJQS-YVMONPNESA-N
MW222.24 g/mol
LogP1.53
Rot. Bonds5

About (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid

(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid (PubChem CID 103230745) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
PubChem CID103230745
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
SMILESCOc1ccc(NC/C=C(/C)C(=O)O)cn1
InChIInChI=1S/C11H14N2O3/c1-8(11(14)15)5-6-12-9-3-4-10(16-2)13-7-9/h3-5,7,12H,6H2,1-2H3,(H,14,15)/b8-5-
InChIKeyBLDNBEFRZUXJQS-YVMONPNESA-N
XLogP1.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.53
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

6-ethoxy-N-(3-methylbut-2-enyl)pyridin-3-amine
CID 103096940
(Z)-4-[4-(difluoromethoxy)anilino]-2-methylbut-2-enoic acid
CID 103237095
2-[(6-methoxy-3-pyridinyl)amino]-2-methylbutanoic acid
CID 114987513
N-(2-bromoprop-2-enyl)-6-methoxypyridin-3-amine
CID 60873566
2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
CID 114990583
(E)-N'-hydroxy-N-(6-methoxy-3-pyridinyl)-2-methyloct-2-enediamide
CID 142680412
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
2-[(6-methoxy-3-pyridinyl)amino]-N-pentan-3-ylacetamide
CID 54957106
2-[(6-methoxy-3-pyridinyl)amino]-N-(2-methylbutan-2-yl)acetamide
CID 54956647
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid (CID 103230745) is (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid is COc1ccc(NC/C=C(/C)C(=O)O)cn1.
What is the InChIKey of (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid?
The InChIKey is BLDNBEFRZUXJQS-YVMONPNESA-N. The full InChI is InChI=1S/C11H14N2O3/c1-8(11(14)15)5-6-12-9-3-4-10(16-2)13-7-9/h3-5,7,12H,6H2,1-2H3,(H,14,15)/b8-5-.
What are the key properties of (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid?
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid has a molecular weight of 222.24 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 103230745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).