methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate

C15H19NO5 — CID 139715310

IUPACmethyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)OC2CCCCC2)cc1O
InChIInChI=1S/C15H19NO5/c1-20-14(18)12-8-7-10(9-13(12)17)16-15(19)21-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,16,19)
InChIKeyYLUWSVMVLXMJHE-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.06
Rot. Bonds3

About methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate

methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate (PubChem CID 139715310) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
PubChem CID139715310
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namemethyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate
SMILESCOC(=O)c1ccc(NC(=O)OC2CCCCC2)cc1O
InChIInChI=1S/C15H19NO5/c1-20-14(18)12-8-7-10(9-13(12)17)16-15(19)21-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,16,19)
InChIKeyYLUWSVMVLXMJHE-UHFFFAOYSA-N
XLogP3.06
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl N-(3,4-dichlorophenyl)carbamate
CID 5110802
methyl 2-hydroxy-4-(propoxycarbonylamino)benzoate
CID 139715221
cyclohexanol;cyclohexyl 2-hydroxybenzoate;methyl 2-hydroxybenzoate
CID 158563155
4-(cyclohexyloxycarbonylamino)-2-ethoxycarbonyloxybenzoic acid
CID 139741080
methyl 4-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 83300739
dicyclohexyl 2,5-dihydroxybenzene-1,4-dicarboxylate
CID 14121494
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
N-[4-(cyclohexanecarbonyl)-3-hydroxyphenyl]acetamide
CID 82044053
cyclopentyl N-[4-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl]-3-methoxyphenyl]carbamate
CID 58707781
1-O-cyclohexyl 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 170164863
(cyclohexyloxycarbonylamino) 2-hydroxybenzoate
CID 57131068
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate?
The IUPAC name of methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate (CID 139715310) is methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate.
What is the SMILES notation for methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate?
The canonical SMILES for methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate is COC(=O)c1ccc(NC(=O)OC2CCCCC2)cc1O.
What is the InChIKey of methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate?
The InChIKey is YLUWSVMVLXMJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-20-14(18)12-8-7-10(9-13(12)17)16-15(19)21-11-5-3-2-4-6-11/h7-9,11,17H,2-6H2,1H3,(H,16,19).
What are the key properties of methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate?
methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate has a molecular weight of 293.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexyloxycarbonylamino)-2-hydroxybenzoate is sourced from PubChem (CID 139715310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).