methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate

C14H19NO4 — CID 117417003

IUPACmethyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(C2(N)CCCC2)c(O)cc1OC
InChIInChI=1S/C14H19NO4/c1-18-12-8-11(16)10(7-9(12)13(17)19-2)14(15)5-3-4-6-14/h7-8,16H,3-6,15H2,1-2H3
InChIKeyFGLLPOIBLXTKFR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.92
Rot. Bonds3

About methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate

methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate (PubChem CID 117417003) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
PubChem CID117417003
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate
SMILESCOC(=O)c1cc(C2(N)CCCC2)c(O)cc1OC
InChIInChI=1S/C14H19NO4/c1-18-12-8-11(16)10(7-9(12)13(17)19-2)14(15)5-3-4-6-14/h7-8,16H,3-6,15H2,1-2H3
InChIKeyFGLLPOIBLXTKFR-UHFFFAOYSA-N
XLogP1.92
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

methyl 4-hydroxy-2-methoxy-5-(2-methylpyrrolidin-2-yl)benzoate
CID 117417258
2-(1-aminocyclopentyl)-4-methoxy-5-methylphenol
CID 117316532
2-(1-aminocyclohexyl)-5-chloro-4-methoxyphenol
CID 117392379
2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
CID 105480283
methyl 4-hydroxy-5-[(1-hydroxycyclopropyl)methyl]-2-methoxybenzoate
CID 117383572
5-(1-aminocyclopentyl)-4-fluoro-2-methoxyphenol
CID 117323526
2-(1-aminocyclopropyl)-5-chloro-4-methoxyphenol
CID 84783043
methyl 4-hydroxy-2-methoxy-5-propan-2-ylbenzoate
CID 58236464
methyl 4-hydroxy-5-(1-hydroxy-2-methoxy-2-oxoethyl)-2-methoxybenzoate
CID 117428591
methyl 5-(1-aminocyclopentyl)-2,3-dimethylbenzoate
CID 117371134
methyl 4-hydroxy-5-(2-hydroxyethyl)-2-methoxybenzoate
CID 117325036
N-[2-(1-aminocyclohexyl)-6-methoxyphenyl]acetamide
CID 117410781

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate?
The IUPAC name of methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate (CID 117417003) is methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate.
What is the SMILES notation for methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate?
The canonical SMILES for methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate is COC(=O)c1cc(C2(N)CCCC2)c(O)cc1OC.
What is the InChIKey of methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate?
The InChIKey is FGLLPOIBLXTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-18-12-8-11(16)10(7-9(12)13(17)19-2)14(15)5-3-4-6-14/h7-8,16H,3-6,15H2,1-2H3.
What are the key properties of methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate?
methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate has a molecular weight of 265.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-aminocyclopentyl)-4-hydroxy-2-methoxybenzoate is sourced from PubChem (CID 117417003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).