butyl 2-(cyclooctylamino)acetate

C14H27NO2 — CID 54917785

IUPACbutyl 2-(cyclooctylamino)acetate
SMILESCCCCOC(=O)CNC1CCCCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-11-17-14(16)12-15-13-9-7-5-4-6-8-10-13/h13,15H,2-12H2,1H3
InChIKeyFOQWOMHJVYWHCO-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds6

About butyl 2-(cyclooctylamino)acetate

butyl 2-(cyclooctylamino)acetate (PubChem CID 54917785) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is butyl 2-(cyclooctylamino)acetate.

Molecular Properties

Compound Namebutyl 2-(cyclooctylamino)acetate
PubChem CID54917785
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Namebutyl 2-(cyclooctylamino)acetate
SMILESCCCCOC(=O)CNC1CCCCCCC1
InChIInChI=1S/C14H27NO2/c1-2-3-11-17-14(16)12-15-13-9-7-5-4-6-8-10-13/h13,15H,2-12H2,1H3
InChIKeyFOQWOMHJVYWHCO-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl 2-[(4-propylcyclohexyl)amino]acetate
CID 54962947
butyl 2-[(1,1-dioxothian-3-yl)amino]acetate
CID 63923737
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(cyclopentylamino)acetate
CID 104563132
butyl 2-(2-cyclohexylethylamino)acetate
CID 54932803
butyl 3-(cyclopropylamino)propanoate
CID 60649312
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
butyl 2-[1-[2-(cyclohexylamino)acetyl]-3-oxopiperazin-2-yl]acetate
CID 54816661
hexyl 2-[(1,1-dioxothiolan-3-yl)amino]acetate
CID 61304492
2-(cyclohexylamino)acetamide
CID 13444045
ethyl 2-[(4,4-dimethylcycloheptyl)amino]acetate
CID 65083489
butyl 2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)acetate
CID 54967882
octan-2-yl 2-(cyclopentylamino)acetate
CID 61303088

Frequently Asked Questions

What is the IUPAC name of butyl 2-(cyclooctylamino)acetate?
The IUPAC name of butyl 2-(cyclooctylamino)acetate (CID 54917785) is butyl 2-(cyclooctylamino)acetate.
What is the SMILES notation for butyl 2-(cyclooctylamino)acetate?
The canonical SMILES for butyl 2-(cyclooctylamino)acetate is CCCCOC(=O)CNC1CCCCCCC1.
What is the InChIKey of butyl 2-(cyclooctylamino)acetate?
The InChIKey is FOQWOMHJVYWHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-3-11-17-14(16)12-15-13-9-7-5-4-6-8-10-13/h13,15H,2-12H2,1H3.
What are the key properties of butyl 2-(cyclooctylamino)acetate?
butyl 2-(cyclooctylamino)acetate has a molecular weight of 241.37 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(cyclooctylamino)acetate is sourced from PubChem (CID 54917785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).