2-amino-5-(2-methoxyethoxy)benzoic acid

C10H13NO4 — CID 12719199

IUPAC2-amino-5-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-14-4-5-15-7-2-3-9(11)8(6-7)10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyNLTVMIYNOYBBJE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.99
Rot. Bonds5

About 2-amino-5-(2-methoxyethoxy)benzoic acid

2-amino-5-(2-methoxyethoxy)benzoic acid (PubChem CID 12719199) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-amino-5-(2-methoxyethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(2-methoxyethoxy)benzoic acid
PubChem CID12719199
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-amino-5-(2-methoxyethoxy)benzoic acid
SMILESCOCCOc1ccc(N)c(C(=O)O)c1
InChIInChI=1S/C10H13NO4/c1-14-4-5-15-7-2-3-9(11)8(6-7)10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13)
InChIKeyNLTVMIYNOYBBJE-UHFFFAOYSA-N
XLogP0.99
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
2-amino-5-(4-methoxy-4-oxobutoxy)benzoic acid
CID 63997539
2-amino-5-heptoxybenzoic acid
CID 54888058
2-amino-5-(4-methoxybutan-2-yloxy)benzoic acid
CID 107076827
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
2-amino-N-(2-hydroxy-2-methylpropyl)-5-(2-methoxyethoxy)benzamide
CID 70098352
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
2-amino-5-prop-2-enoxybenzoic acid
CID 57155191
4-(2-methoxyethoxy)-2-(trifluoromethyl)benzoic acid
CID 62701897
2-amino-5-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 107077178

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-methoxyethoxy)benzoic acid?
The IUPAC name of 2-amino-5-(2-methoxyethoxy)benzoic acid (CID 12719199) is 2-amino-5-(2-methoxyethoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(2-methoxyethoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(2-methoxyethoxy)benzoic acid is COCCOc1ccc(N)c(C(=O)O)c1.
What is the InChIKey of 2-amino-5-(2-methoxyethoxy)benzoic acid?
The InChIKey is NLTVMIYNOYBBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-14-4-5-15-7-2-3-9(11)8(6-7)10(12)13/h2-3,6H,4-5,11H2,1H3,(H,12,13).
What are the key properties of 2-amino-5-(2-methoxyethoxy)benzoic acid?
2-amino-5-(2-methoxyethoxy)benzoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-methoxyethoxy)benzoic acid is sourced from PubChem (CID 12719199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).