amino 2-(4-formyl-2-methoxyphenyl)acetate

C10H11NO4 — CID 175512455

IUPACamino 2-(4-formyl-2-methoxyphenyl)acetate
SMILESCOc1cc(C=O)ccc1CC(=O)ON
InChIInChI=1S/C10H11NO4/c1-14-9-4-7(6-12)2-3-8(9)5-10(13)15-11/h2-4,6H,5,11H2,1H3
InChIKeyGUMUEAXDZLFCPT-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.47
Rot. Bonds4

About amino 2-(4-formyl-2-methoxyphenyl)acetate

amino 2-(4-formyl-2-methoxyphenyl)acetate (PubChem CID 175512455) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is amino 2-(4-formyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Nameamino 2-(4-formyl-2-methoxyphenyl)acetate
PubChem CID175512455
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Nameamino 2-(4-formyl-2-methoxyphenyl)acetate
SMILESCOc1cc(C=O)ccc1CC(=O)ON
InChIInChI=1S/C10H11NO4/c1-14-9-4-7(6-12)2-3-8(9)5-10(13)15-11/h2-4,6H,5,11H2,1H3
InChIKeyGUMUEAXDZLFCPT-UHFFFAOYSA-N
XLogP0.47
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methanethioyl-2-methoxyphenyl)acetate
CID 23282572
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
(5-formyl-2-methoxyphenyl) 2-chloroacetate
CID 592476
4-acetyl-3-methoxybenzaldehyde
CID 14123550
[2-(2-methoxyphenyl)acetyl] 3-formylbenzoate
CID 174425921
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
CID 130345281
CID 130345281
ethane;ethyl 2-(4-formamido-2-methoxyphenyl)acetate
CID 153350348
methanol;3-methoxy-4-(morpholin-4-ylmethyl)benzaldehyde
CID 143409868
4-hydroxy-3-methoxybenzaldehyde;2-methylpropanoic acid
CID 53442983

Frequently Asked Questions

What is the IUPAC name of amino 2-(4-formyl-2-methoxyphenyl)acetate?
The IUPAC name of amino 2-(4-formyl-2-methoxyphenyl)acetate (CID 175512455) is amino 2-(4-formyl-2-methoxyphenyl)acetate.
What is the SMILES notation for amino 2-(4-formyl-2-methoxyphenyl)acetate?
The canonical SMILES for amino 2-(4-formyl-2-methoxyphenyl)acetate is COc1cc(C=O)ccc1CC(=O)ON.
What is the InChIKey of amino 2-(4-formyl-2-methoxyphenyl)acetate?
The InChIKey is GUMUEAXDZLFCPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-14-9-4-7(6-12)2-3-8(9)5-10(13)15-11/h2-4,6H,5,11H2,1H3.
What are the key properties of amino 2-(4-formyl-2-methoxyphenyl)acetate?
amino 2-(4-formyl-2-methoxyphenyl)acetate has a molecular weight of 209.20 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for amino 2-(4-formyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 175512455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).