2-amino-4-(2-aminoethoxy)benzoic acid

C9H12N2O3 — CID 177325721

IUPAC2-amino-4-(2-aminoethoxy)benzoic acid
SMILESNCCOc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C9H12N2O3/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5H,3-4,10-11H2,(H,12,13)
InChIKeyXKSLOMOLSKHPBF-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.30
Rot. Bonds4

About 2-amino-4-(2-aminoethoxy)benzoic acid

2-amino-4-(2-aminoethoxy)benzoic acid (PubChem CID 177325721) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-4-(2-aminoethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-4-(2-aminoethoxy)benzoic acid
PubChem CID177325721
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-4-(2-aminoethoxy)benzoic acid
SMILESNCCOc1ccc(C(=O)O)c(N)c1
InChIInChI=1S/C9H12N2O3/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5H,3-4,10-11H2,(H,12,13)
InChIKeyXKSLOMOLSKHPBF-UHFFFAOYSA-N
XLogP0.30
TPSA98.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2-hydroxyethoxy)benzoic acid
CID 104501008
4-(2-aminoethoxy)-2-hydroxybenzoic acid
CID 18506511
2-amino-4-(2-propoxyethoxy)benzoic acid
CID 104501054
4-(3-aminopropoxy)-2-fluorobenzoic acid
CID 107675382
2-amino-4-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 113497358
2-amino-5-propoxybenzoic acid
CID 12719187
2-amino-5-(2-methoxyethoxy)benzoic acid
CID 12719199
5-(3-aminopropoxy)-2-chlorobenzoic acid
CID 106500800
2-amino-5-[2-(4-bromophenoxy)ethoxy]benzoic acid
CID 107077092
4-aminobenzoic acid;4-(2-aminoethoxy)benzoic acid
CID 157214876
methyl 2-amino-4-(2-methoxyethoxy)benzoate
CID 166066284
2-[2-amino-4-(2-aminoethoxy)phenoxy]ethyl acetate
CID 123723244

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-aminoethoxy)benzoic acid?
The IUPAC name of 2-amino-4-(2-aminoethoxy)benzoic acid (CID 177325721) is 2-amino-4-(2-aminoethoxy)benzoic acid.
What is the SMILES notation for 2-amino-4-(2-aminoethoxy)benzoic acid?
The canonical SMILES for 2-amino-4-(2-aminoethoxy)benzoic acid is NCCOc1ccc(C(=O)O)c(N)c1.
What is the InChIKey of 2-amino-4-(2-aminoethoxy)benzoic acid?
The InChIKey is XKSLOMOLSKHPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-3-4-14-6-1-2-7(9(12)13)8(11)5-6/h1-2,5H,3-4,10-11H2,(H,12,13).
What are the key properties of 2-amino-4-(2-aminoethoxy)benzoic acid?
2-amino-4-(2-aminoethoxy)benzoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-aminoethoxy)benzoic acid is sourced from PubChem (CID 177325721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).