2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid

C11H13NO5 — CID 143616023

IUPAC2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid
SMILESCOc1ccc(N(C)CC(=O)O)c(OC=O)c1
InChIInChI=1S/C11H13NO5/c1-12(6-11(14)15)9-4-3-8(16-2)5-10(9)17-7-13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyHPBDEXOGWLULGO-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.75
Rot. Bonds6

About 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid

2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid (PubChem CID 143616023) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid
PubChem CID143616023
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid
SMILESCOc1ccc(N(C)CC(=O)O)c(OC=O)c1
InChIInChI=1S/C11H13NO5/c1-12(6-11(14)15)9-4-3-8(16-2)5-10(9)17-7-13/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyHPBDEXOGWLULGO-UHFFFAOYSA-N
XLogP0.75
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521188
2-[(2,4-dimethoxyphenyl)methyl-methylamino]acetic acid
CID 60712632
(2,4-dimethoxyphenyl) formate
CID 11137749
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
N-ethyl-2,4-dimethoxy-N-methylaniline
CID 115259289
2-amino-4-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 115241105
2-[2-(2,5-dimethoxyphenyl)ethyl-methylamino]acetic acid
CID 94270324
N-(chloromethyl)-2,4-dimethoxy-N-methylaniline
CID 115262832
2-[ethyl(methyl)amino]-4-methoxybenzoic acid
CID 81304499
2-[(2-fluoro-4-methoxyphenyl)methyl-methylamino]acetic acid
CID 102877379
3-(2,4-dimethoxy-N-prop-2-enylanilino)propanoic acid
CID 82317570
2-[2-ethoxy-4-(ethylaminomethyl)-N-methylanilino]acetic acid
CID 84749434

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid?
The IUPAC name of 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid (CID 143616023) is 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid.
What is the SMILES notation for 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid?
The canonical SMILES for 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid is COc1ccc(N(C)CC(=O)O)c(OC=O)c1.
What is the InChIKey of 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid?
The InChIKey is HPBDEXOGWLULGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12(6-11(14)15)9-4-3-8(16-2)5-10(9)17-7-13/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid?
2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyloxy-4-methoxy-N-methylanilino)acetic acid is sourced from PubChem (CID 143616023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).