cyclopentylmethyl 4-amino-2-hydroxybenzoate

C13H17NO3 — CID 66323288

IUPACcyclopentylmethyl 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)OCC2CCCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c14-10-5-6-11(12(15)7-10)13(16)17-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,14H2
InChIKeyHOSHXFVNKIWLGS-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.32
Rot. Bonds3

About cyclopentylmethyl 4-amino-2-hydroxybenzoate

cyclopentylmethyl 4-amino-2-hydroxybenzoate (PubChem CID 66323288) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is cyclopentylmethyl 4-amino-2-hydroxybenzoate.

Molecular Properties

Compound Namecyclopentylmethyl 4-amino-2-hydroxybenzoate
PubChem CID66323288
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Namecyclopentylmethyl 4-amino-2-hydroxybenzoate
SMILESNc1ccc(C(=O)OCC2CCCC2)c(O)c1
InChIInChI=1S/C13H17NO3/c14-10-5-6-11(12(15)7-10)13(16)17-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,14H2
InChIKeyHOSHXFVNKIWLGS-UHFFFAOYSA-N
XLogP2.32
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexylmethyl 4-amino-2-fluorobenzoate
CID 55125027
cyclobutylmethyl 5-amino-2-(dimethylamino)benzoate
CID 65459983
cyclohexylmethyl 2-amino-4-chlorobenzoate
CID 63450317
cyclopropylmethyl 2-amino-5-hydroxybenzoate
CID 61405748
4-amino-2-(cyclopentylmethoxy)benzoic acid
CID 66321807
cyclopropylmethyl 2-amino-4-chlorobenzoate
CID 28690164
4-hydroxybutyl 4-amino-2-hydroxybenzoate
CID 121220712
cyclopentylmethyl 2-chloro-5-sulfanylbenzoate
CID 107018905
cyclopropylmethyl 2-amino-5-iodobenzoate
CID 63111531
oxetan-3-yl 4-amino-2-hydroxybenzoate
CID 102606824
cyclohexylmethyl 4-amino-3,5-dichlorobenzoate
CID 82831029
5-hydroxypentyl 4-amino-2-hydroxybenzoate
CID 121013033

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 4-amino-2-hydroxybenzoate?
The IUPAC name of cyclopentylmethyl 4-amino-2-hydroxybenzoate (CID 66323288) is cyclopentylmethyl 4-amino-2-hydroxybenzoate.
What is the SMILES notation for cyclopentylmethyl 4-amino-2-hydroxybenzoate?
The canonical SMILES for cyclopentylmethyl 4-amino-2-hydroxybenzoate is Nc1ccc(C(=O)OCC2CCCC2)c(O)c1.
What is the InChIKey of cyclopentylmethyl 4-amino-2-hydroxybenzoate?
The InChIKey is HOSHXFVNKIWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c14-10-5-6-11(12(15)7-10)13(16)17-8-9-3-1-2-4-9/h5-7,9,15H,1-4,8,14H2.
What are the key properties of cyclopentylmethyl 4-amino-2-hydroxybenzoate?
cyclopentylmethyl 4-amino-2-hydroxybenzoate has a molecular weight of 235.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 4-amino-2-hydroxybenzoate is sourced from PubChem (CID 66323288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).