(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid

C12H16N2O3 — CID 103250162

IUPAC(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid
SMILESCOc1cc(CNC/C=C(/C)C(=O)O)ccn1
InChIInChI=1S/C12H16N2O3/c1-9(12(15)16)3-5-13-8-10-4-6-14-11(7-10)17-2/h3-4,6-7,13H,5,8H2,1-2H3,(H,15,16)/b9-3-
InChIKeyWSVTYNSZJRIUET-OQFOIZHKSA-N
MW236.27 g/mol
LogP1.21
Rot. Bonds6

About (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid

(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid (PubChem CID 103250162) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid
PubChem CID103250162
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid
SMILESCOc1cc(CNC/C=C(/C)C(=O)O)ccn1
InChIInChI=1S/C12H16N2O3/c1-9(12(15)16)3-5-13-8-10-4-6-14-11(7-10)17-2/h3-4,6-7,13H,5,8H2,1-2H3,(H,15,16)/b9-3-
InChIKeyWSVTYNSZJRIUET-OQFOIZHKSA-N
XLogP1.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-4-[(3-bromophenyl)methylamino]-2-methylbut-2-enoic acid
CID 103243938
(E)-4-[(2-methoxy-4-pyridinyl)methylamino]-4-oxobut-2-enoic acid
CID 55141133
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
N,N-diethyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 55141134
2-[5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]thiophen-2-yl]acetic acid
CID 82894588
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
4-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103250201
5-[[(2-methoxy-4-pyridinyl)methylamino]methyl]furan-3-carboxylic acid
CID 104608919
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
(Z)-4-[(6-methoxy-3-pyridinyl)amino]-2-methylbut-2-enoic acid
CID 103230745
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid?
The IUPAC name of (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid (CID 103250162) is (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid.
What is the SMILES notation for (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid?
The canonical SMILES for (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid is COc1cc(CNC/C=C(/C)C(=O)O)ccn1.
What is the InChIKey of (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid?
The InChIKey is WSVTYNSZJRIUET-OQFOIZHKSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9(12(15)16)3-5-13-8-10-4-6-14-11(7-10)17-2/h3-4,6-7,13H,5,8H2,1-2H3,(H,15,16)/b9-3-.
What are the key properties of (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid?
(Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid has a molecular weight of 236.27 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbut-2-enoic acid is sourced from PubChem (CID 103250162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).