cyclopropylmethyl 2-amino-5-hydroxybenzoate

C11H13NO3 — CID 61405748

IUPACcyclopropylmethyl 2-amino-5-hydroxybenzoate
SMILESNc1ccc(O)cc1C(=O)OCC1CC1
InChIInChI=1S/C11H13NO3/c12-10-4-3-8(13)5-9(10)11(14)15-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyUTPPVQCSMCRCPJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.54
Rot. Bonds3

About cyclopropylmethyl 2-amino-5-hydroxybenzoate

cyclopropylmethyl 2-amino-5-hydroxybenzoate (PubChem CID 61405748) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is cyclopropylmethyl 2-amino-5-hydroxybenzoate.

Molecular Properties

Compound Namecyclopropylmethyl 2-amino-5-hydroxybenzoate
PubChem CID61405748
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namecyclopropylmethyl 2-amino-5-hydroxybenzoate
SMILESNc1ccc(O)cc1C(=O)OCC1CC1
InChIInChI=1S/C11H13NO3/c12-10-4-3-8(13)5-9(10)11(14)15-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2
InChIKeyUTPPVQCSMCRCPJ-UHFFFAOYSA-N
XLogP1.54
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze cyclopropylmethyl 2-amino-5-hydroxybenzoate 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

cyclopropylmethyl 2-amino-5-iodobenzoate
CID 63111531
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
cyclopentylmethyl 4-amino-2-hydroxybenzoate
CID 66323288
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-(2-methoxyethoxy)ethyl 2-amino-5-hydroxybenzoate
CID 113427093
tert-butyl 2-amino-5-hydroxybenzoate
CID 61405747
[4-[(2-methylbenzoyl)oxymethyl]cyclohexyl]methyl 2-methylbenzoate
CID 18407926
cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclopropylmethyl 3-amino-4-fluorobenzoate
CID 61150324
2-amino-5-(cyclopropylmethoxy)benzamide
CID 61305267
cyclopropylmethyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54453164

Frequently Asked Questions

What is the IUPAC name of cyclopropylmethyl 2-amino-5-hydroxybenzoate?
The IUPAC name of cyclopropylmethyl 2-amino-5-hydroxybenzoate (CID 61405748) is cyclopropylmethyl 2-amino-5-hydroxybenzoate.
What is the SMILES notation for cyclopropylmethyl 2-amino-5-hydroxybenzoate?
The canonical SMILES for cyclopropylmethyl 2-amino-5-hydroxybenzoate is Nc1ccc(O)cc1C(=O)OCC1CC1.
What is the InChIKey of cyclopropylmethyl 2-amino-5-hydroxybenzoate?
The InChIKey is UTPPVQCSMCRCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-10-4-3-8(13)5-9(10)11(14)15-6-7-1-2-7/h3-5,7,13H,1-2,6,12H2.
What are the key properties of cyclopropylmethyl 2-amino-5-hydroxybenzoate?
cyclopropylmethyl 2-amino-5-hydroxybenzoate has a molecular weight of 207.23 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 2-amino-5-hydroxybenzoate is sourced from PubChem (CID 61405748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).