(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate

C14H19NO3 — CID 113386632

IUPAC(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate
SMILESCC1CCCCC1OC(=O)c1cccc(N)c1O
InChIInChI=1S/C14H19NO3/c1-9-5-2-3-8-12(9)18-14(17)10-6-4-7-11(15)13(10)16/h4,6-7,9,12,16H,2-3,5,8,15H2,1H3
InChIKeyKRZXICAFCUATQU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.71
Rot. Bonds2

About (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate

(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate (PubChem CID 113386632) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate.

Molecular Properties

Compound Name(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate
PubChem CID113386632
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate
SMILESCC1CCCCC1OC(=O)c1cccc(N)c1O
InChIInChI=1S/C14H19NO3/c1-9-5-2-3-8-12(9)18-14(17)10-6-4-7-11(15)13(10)16/h4,6-7,9,12,16H,2-3,5,8,15H2,1H3
InChIKeyKRZXICAFCUATQU-UHFFFAOYSA-N
XLogP2.71
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
(2-methylcyclohexyl) 2-(2-methylcyclohexyl)oxybenzoate
CID 57133413
(2-methylcyclohexyl) 3-aminopyridine-2-carboxylate
CID 113447858
(1-methylpiperidin-4-yl) 3-amino-2-hydroxybenzoate
CID 113386626
(2-methylcyclohexyl) 2-amino-4-nitrobenzoate
CID 63110730
(2-methylcyclohexyl) 4-chloropyridine-3-carboxylate
CID 116628352
ethyl 3-amino-2-hydroxybenzoate;hydrochloride
CID 117046540
(3-amino-2-hydroxybenzoyl) (2R)-1-methylpyrrolidine-2-carboxylate
CID 175299823
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495
3-amino-N-cyclohexyl-2-hydroxy-N-methoxybenzamide
CID 89098947
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl 2-aminobenzoate
CID 24510

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate?
The IUPAC name of (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate (CID 113386632) is (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate.
What is the SMILES notation for (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate?
The canonical SMILES for (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate is CC1CCCCC1OC(=O)c1cccc(N)c1O.
What is the InChIKey of (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate?
The InChIKey is KRZXICAFCUATQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-5-2-3-8-12(9)18-14(17)10-6-4-7-11(15)13(10)16/h4,6-7,9,12,16H,2-3,5,8,15H2,1H3.
What are the key properties of (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate?
(2-methylcyclohexyl) 3-amino-2-hydroxybenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) 3-amino-2-hydroxybenzoate is sourced from PubChem (CID 113386632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).