ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate

C13H23NO4 — CID 79204995

IUPACethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)CCCO)CC1
InChIInChI=1S/C13H23NO4/c1-2-18-13(17)10-5-7-11(8-6-10)14-12(16)4-3-9-15/h10-11,15H,2-9H2,1H3,(H,14,16)
InChIKeyGUJKUCDEEGHOPY-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.00
Rot. Bonds6

About ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate

ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate (PubChem CID 79204995) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate
PubChem CID79204995
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nameethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(NC(=O)CCCO)CC1
InChIInChI=1S/C13H23NO4/c1-2-18-13(17)10-5-7-11(8-6-10)14-12(16)4-3-9-15/h10-11,15H,2-9H2,1H3,(H,14,16)
InChIKeyGUJKUCDEEGHOPY-UHFFFAOYSA-N
XLogP1.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-ethoxycarbonylcyclohexyl)amino]-3-oxopropanoic acid
CID 62230215
ethyl 4-[(2-chloroacetyl)amino]cyclohexane-1-carboxylate
CID 60933173
ethyl 4-(methoxycarbonylamino)cyclohexane-1-carboxylate
CID 115270432
methyl 4-(hexanoylamino)cyclohexane-1-carboxylate
CID 112689997
ethyl 4-(2-hydroxyethylamino)cyclohexane-1-carboxylate
CID 66671278
ethyl 4-(2-methylpropanoylamino)cyclohexane-1-carboxylate
CID 62401052
ethyl 4-[(4-carbamoylcyclohexyl)amino]-4-oxobutanoate
CID 60728078
ethyl 3-[[4-(cyclopropylamino)-4-oxobutyl]amino]propanoate
CID 79393885
ethyl 4-[[2-(4-aminophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 119738178
ethyl 4-[(4-aminocyclohexanecarbonyl)amino]cyclohexane-1-carboxylate
CID 60945042
ethyl 4-(2-bromopropanoylamino)cyclohexane-1-carboxylate
CID 107904147
ethyl 4-[2-(methylamino)propanoylamino]cyclohexane-1-carboxylate
CID 62638586

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate (CID 79204995) is ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate is CCOC(=O)C1CCC(NC(=O)CCCO)CC1.
What is the InChIKey of ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate?
The InChIKey is GUJKUCDEEGHOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-2-18-13(17)10-5-7-11(8-6-10)14-12(16)4-3-9-15/h10-11,15H,2-9H2,1H3,(H,14,16).
What are the key properties of ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate?
ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-hydroxybutanoylamino)cyclohexane-1-carboxylate is sourced from PubChem (CID 79204995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).