2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid

C14H19NO4 — CID 39364528

IUPAC2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-4-7-15(10-14(16)17)9-11-8-12(18-2)5-6-13(11)19-3/h4-6,8H,1,7,9-10H2,2-3H3,(H,16,17)
InChIKeyZWSSQYWWGUSZJG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.78
Rot. Bonds8

About 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid

2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid (PubChem CID 39364528) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
PubChem CID39364528
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1cc(OC)ccc1OC
InChIInChI=1S/C14H19NO4/c1-4-7-15(10-14(16)17)9-11-8-12(18-2)5-6-13(11)19-3/h4-6,8H,1,7,9-10H2,2-3H3,(H,16,17)
InChIKeyZWSSQYWWGUSZJG-UHFFFAOYSA-N
XLogP1.78
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[prop-2-enyl-[(2,4,6-trimethoxyphenyl)methyl]amino]acetic acid
CID 79270851
2-[(2,5-dimethoxyphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 39382765
2-[(3-cyano-4-methoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 79275467
(E)-4-[(2,5-dimethoxyphenyl)methyl-methylamino]but-2-enoic acid
CID 115237180
2-[(2-chloro-6-methoxyphenyl)methyl-prop-2-enylamino]acetic acid
CID 104819002
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
2-[(2,5-dimethylphenyl)methyl-prop-2-enylamino]acetic acid
CID 79277476
2-[ethyl-[(2-methoxy-5-methylphenyl)methyl]amino]acetic acid
CID 54900678
2-[(2-methylphenyl)methyl-prop-2-enylamino]acetic acid
CID 39243977
2-[(2-bromo-5-fluorophenyl)methyl-prop-2-enylamino]acetic acid
CID 79276072
3-(2,4-dimethoxy-N-prop-2-enylanilino)propanoic acid
CID 82317570
2-[(2,5-dimethoxyphenyl)methyl-ethylamino]-N-ethylacetamide
CID 8683962

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid (CID 39364528) is 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid is C=CCN(CC(=O)O)Cc1cc(OC)ccc1OC.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid?
The InChIKey is ZWSSQYWWGUSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-4-7-15(10-14(16)17)9-11-8-12(18-2)5-6-13(11)19-3/h4-6,8H,1,7,9-10H2,2-3H3,(H,16,17).
What are the key properties of 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid?
2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)methyl-prop-2-enylamino]acetic acid is sourced from PubChem (CID 39364528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).