2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid

C11H13NO5 — CID 107077178

IUPAC2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
SMILESCCOC(=O)COc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-16-10(13)6-17-7-3-4-9(12)8(5-7)11(14)15/h3-5H,2,6,12H2,1H3,(H,14,15)
InChIKeyQXLLYLZXZANBFT-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.91
Rot. Bonds5

About 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid

2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid (PubChem CID 107077178) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
PubChem CID107077178
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
SMILESCCOC(=O)COc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C11H13NO5/c1-2-16-10(13)6-17-7-3-4-9(12)8(5-7)11(14)15/h3-5H,2,6,12H2,1H3,(H,14,15)
InChIKeyQXLLYLZXZANBFT-UHFFFAOYSA-N
XLogP0.91
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
ethyl 2-[3,5-bis(2-ethoxy-2-oxoethoxy)phenoxy]acetate
CID 71361550
2-amino-5-heptoxybenzoic acid
CID 54888058
ethyl 2-(3-bromo-4-hydroxyphenoxy)acetate
CID 57431966
ethyl 2-[4-amino-3-(1,3-dioxolan-2-yl)phenoxy]acetate
CID 10611863
2-amino-5-(4-methoxy-4-oxobutoxy)benzoic acid
CID 63997539
ethyl 2-(4-acetyl-3-fluorophenoxy)acetate
CID 69405523
2-amino-5-[2-(cyanomethylamino)-2-oxoethoxy]benzoic acid
CID 107076873
2-amino-5-prop-2-enoxybenzoic acid
CID 57155191
2-amino-5-[(3-methyl-2-pyridinyl)methoxy]benzoic acid
CID 107077008

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid?
The IUPAC name of 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid (CID 107077178) is 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid is CCOC(=O)COc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid?
The InChIKey is QXLLYLZXZANBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-2-16-10(13)6-17-7-3-4-9(12)8(5-7)11(14)15/h3-5H,2,6,12H2,1H3,(H,14,15).
What are the key properties of 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid?
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 107077178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).