(cyclohexyloxycarbonylamino) 2-hydroxybenzoate

C14H17NO5 — CID 57131068

IUPAC(cyclohexyloxycarbonylamino) 2-hydroxybenzoate
SMILESO=C(NOC(=O)c1ccccc1O)OC1CCCCC1
InChIInChI=1S/C14H17NO5/c16-12-9-5-4-8-11(12)13(17)20-15-14(18)19-10-6-2-1-3-7-10/h4-5,8-10,16H,1-3,6-7H2,(H,15,18)
InChIKeyCFAQPRYSHLQVON-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.52
Rot. Bonds2

About (cyclohexyloxycarbonylamino) 2-hydroxybenzoate

(cyclohexyloxycarbonylamino) 2-hydroxybenzoate (PubChem CID 57131068) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is (cyclohexyloxycarbonylamino) 2-hydroxybenzoate.

Molecular Properties

Compound Name(cyclohexyloxycarbonylamino) 2-hydroxybenzoate
PubChem CID57131068
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name(cyclohexyloxycarbonylamino) 2-hydroxybenzoate
SMILESO=C(NOC(=O)c1ccccc1O)OC1CCCCC1
InChIInChI=1S/C14H17NO5/c16-12-9-5-4-8-11(12)13(17)20-15-14(18)19-10-6-2-1-3-7-10/h4-5,8-10,16H,1-3,6-7H2,(H,15,18)
InChIKeyCFAQPRYSHLQVON-UHFFFAOYSA-N
XLogP2.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cyclohexyl 2-aminobenzoate
CID 24510
cycloheptyl 3-amino-2-hydroxybenzoate
CID 113386635
cyclohexyl 2-carbamimidoylbenzoate
CID 154364021
cyclopentyl 2-aminobenzoate;hydrochloride
CID 138987389
cyclohexyl 2-(methylamino)benzoate
CID 61278808
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
CID 139715310
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
amino 2-hydroxybenzoate
CID 12598418
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
dicyclohexyl 2-phenylpropanedioate
CID 130210180

Frequently Asked Questions

What is the IUPAC name of (cyclohexyloxycarbonylamino) 2-hydroxybenzoate?
The IUPAC name of (cyclohexyloxycarbonylamino) 2-hydroxybenzoate (CID 57131068) is (cyclohexyloxycarbonylamino) 2-hydroxybenzoate.
What is the SMILES notation for (cyclohexyloxycarbonylamino) 2-hydroxybenzoate?
The canonical SMILES for (cyclohexyloxycarbonylamino) 2-hydroxybenzoate is O=C(NOC(=O)c1ccccc1O)OC1CCCCC1.
What is the InChIKey of (cyclohexyloxycarbonylamino) 2-hydroxybenzoate?
The InChIKey is CFAQPRYSHLQVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c16-12-9-5-4-8-11(12)13(17)20-15-14(18)19-10-6-2-1-3-7-10/h4-5,8-10,16H,1-3,6-7H2,(H,15,18).
What are the key properties of (cyclohexyloxycarbonylamino) 2-hydroxybenzoate?
(cyclohexyloxycarbonylamino) 2-hydroxybenzoate has a molecular weight of 279.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexyloxycarbonylamino) 2-hydroxybenzoate is sourced from PubChem (CID 57131068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).