2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid

C13H17NO3 — CID 106199654

IUPAC2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid
SMILESCc1cc(OCCC2CC2)cc(C(=O)O)c1N
InChIInChI=1S/C13H17NO3/c1-8-6-10(17-5-4-9-2-3-9)7-11(12(8)14)13(15)16/h6-7,9H,2-5,14H2,1H3,(H,15,16)
InChIKeyBGQDCGIHEGAHJC-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.45
Rot. Bonds5

About 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid

2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid (PubChem CID 106199654) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid
PubChem CID106199654
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid
SMILESCc1cc(OCCC2CC2)cc(C(=O)O)c1N
InChIInChI=1S/C13H17NO3/c1-8-6-10(17-5-4-9-2-3-9)7-11(12(8)14)13(15)16/h6-7,9H,2-5,14H2,1H3,(H,15,16)
InChIKeyBGQDCGIHEGAHJC-UHFFFAOYSA-N
XLogP2.45
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
2-amino-5-(2-cyclobutylethoxy)benzoic acid
CID 106203443
3-amino-2-(2-cyclopropylethoxy)pyridine-4-carboxylic acid
CID 106203425
4-(2-cyclopropylethoxy)-2-methylbenzenecarboximidamide
CID 106202035
2-amino-5-(4-bromo-3,5-dimethylphenoxy)-3-methylbenzoic acid
CID 107722649
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
5-amino-3-chloro-2-(2-cyclopropylethoxy)benzoic acid
CID 106203432
3-(2-cyclopropylethoxy)-2-methylbenzoic acid
CID 82827361
4-[3-(1-chloropiperidin-4-yl)propoxy]-2,6-dimethylbenzoic acid
CID 87664259
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715
3-bromo-5-(2-cyclopropylethoxy)aniline
CID 103588286
2-cyclopropylethyl 3-amino-5-ethoxybenzoate
CID 81092437

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid?
The IUPAC name of 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid (CID 106199654) is 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid.
What is the SMILES notation for 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid?
The canonical SMILES for 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid is Cc1cc(OCCC2CC2)cc(C(=O)O)c1N.
What is the InChIKey of 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid?
The InChIKey is BGQDCGIHEGAHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-6-10(17-5-4-9-2-3-9)7-11(12(8)14)13(15)16/h6-7,9H,2-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid?
2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid has a molecular weight of 235.28 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclopropylethoxy)-3-methylbenzoic acid is sourced from PubChem (CID 106199654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).