5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid

C12H14ClNO3 — CID 106203432

IUPAC5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid
SMILESNc1cc(Cl)c(OCCC2CC2)c(C(=O)O)c1
InChIInChI=1S/C12H14ClNO3/c13-10-6-8(14)5-9(12(15)16)11(10)17-4-3-7-1-2-7/h5-7H,1-4,14H2,(H,15,16)
InChIKeyNBZUQFJXZMVLKH-UHFFFAOYSA-N
MW255.70 g/mol
LogP2.80
Rot. Bonds5

About 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid

5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid (PubChem CID 106203432) has the molecular formula C12H14ClNO3 and a molecular weight of 255.70 g/mol. Its IUPAC name is 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid.

Molecular Properties

Compound Name5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid
PubChem CID106203432
Molecular FormulaC12H14ClNO3
Molecular Weight255.70 g/mol
Exact Mass255.07
IUPAC Name5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid
SMILESNc1cc(Cl)c(OCCC2CC2)c(C(=O)O)c1
InChIInChI=1S/C12H14ClNO3/c13-10-6-8(14)5-9(12(15)16)11(10)17-4-3-7-1-2-7/h5-7H,1-4,14H2,(H,15,16)
InChIKeyNBZUQFJXZMVLKH-UHFFFAOYSA-N
XLogP2.80
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-amino-3-chloro-2-(2-cyclobutylethoxy)benzoate
CID 106203449
5-amino-3-chloro-2-(3-hydroxypropoxy)benzoic acid
CID 107197581
5-amino-3-chloro-2-(2-cyclopropylethylamino)benzoic acid
CID 107196157
5-amino-3-chloro-2-(oxetan-3-yloxy)benzoic acid
CID 107198210
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
3,5-dichloro-2-(cyclobutylmethoxy)benzoic acid
CID 65457585
2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid
CID 106199654
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
4-amino-5-chloro-2-(cyclopropylmethoxy)benzoic acid
CID 14403895
2-(4-amino-2,6-dichlorophenoxy)-N-(cyclopropylmethyl)acetamide
CID 43351652
ethyl 5-amino-3-chloro-2-[2-[cyclopropyl(methyl)amino]ethoxy]benzoate
CID 107198297
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid?
The IUPAC name of 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid (CID 106203432) is 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid.
What is the SMILES notation for 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid?
The canonical SMILES for 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid is Nc1cc(Cl)c(OCCC2CC2)c(C(=O)O)c1.
What is the InChIKey of 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid?
The InChIKey is NBZUQFJXZMVLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO3/c13-10-6-8(14)5-9(12(15)16)11(10)17-4-3-7-1-2-7/h5-7H,1-4,14H2,(H,15,16).
What are the key properties of 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid?
5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid has a molecular weight of 255.70 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid is sourced from PubChem (CID 106203432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).