4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate

C14H25NO4 — CID 123967340

IUPAC4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate
SMILESCC(N)C(=O)OCCCCOC(=O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-11(15)13(16)18-9-5-6-10-19-14(17)12-7-3-2-4-8-12/h11-12H,2-10,15H2,1H3
InChIKeyXVQRZDFMIRUIHQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.78
Rot. Bonds7

About 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate

4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate (PubChem CID 123967340) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate.

Molecular Properties

Compound Name4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate
PubChem CID123967340
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate
SMILESCC(N)C(=O)OCCCCOC(=O)C1CCCCC1
InChIInChI=1S/C14H25NO4/c1-11(15)13(16)18-9-5-6-10-19-14(17)12-7-3-2-4-8-12/h11-12H,2-10,15H2,1H3
InChIKeyXVQRZDFMIRUIHQ-UHFFFAOYSA-N
XLogP1.78
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methylpentyl cyclopentanecarboxylate
CID 566242
4-chloropentyl cyclohexanecarboxylate
CID 132602068
lithium;hydride;pentyl cyclohexanecarboxylate
CID 173095553
nonyl cyclopentanecarboxylate
CID 575427
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
bis(4-methylpentyl) cycloheptane-1,3-dicarboxylate
CID 172819323
2-(1-sulfanylethoxy)ethyl cyclohexanecarboxylate
CID 147800283
2-(2-methylpropoxy)ethyl cyclohexanecarboxylate
CID 59197441
3-bromopropyl cyclopentanecarboxylate
CID 10776091
1-O-(11-methyldodecyl) 4-O-(5-methylhexyl) cyclohexane-1,4-dicarboxylate
CID 91005535
4-methylpentyl cyclopropanecarboxylate
CID 550148
3-(propylamino)propyl cyclohexanecarboxylate
CID 82532737

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate?
The IUPAC name of 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate (CID 123967340) is 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate.
What is the SMILES notation for 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate?
The canonical SMILES for 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate is CC(N)C(=O)OCCCCOC(=O)C1CCCCC1.
What is the InChIKey of 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate?
The InChIKey is XVQRZDFMIRUIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11(15)13(16)18-9-5-6-10-19-14(17)12-7-3-2-4-8-12/h11-12H,2-10,15H2,1H3.
What are the key properties of 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate?
4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropanoyloxy)butyl cyclohexanecarboxylate is sourced from PubChem (CID 123967340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).