ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate

C14H27NO4 — CID 79581836

IUPACethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCOCCOCCC1CCCC1(N)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-3-17-10-11-18-9-7-12-6-5-8-14(12,15)13(16)19-4-2/h12H,3-11,15H2,1-2H3
InChIKeyXROCVRHCHJQUQX-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.49
Rot. Bonds9

About ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate

ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate (PubChem CID 79581836) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
PubChem CID79581836
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
SMILESCCOCCOCCC1CCCC1(N)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-3-17-10-11-18-9-7-12-6-5-8-14(12,15)13(16)19-4-2/h12H,3-11,15H2,1-2H3
InChIKeyXROCVRHCHJQUQX-UHFFFAOYSA-N
XLogP1.49
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.49
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

1-amino-2-[2-(2-propoxyethoxy)ethyl]cyclopentane-1-carboxamide
CID 79588401
1-amino-2-[2-(2-butoxyethoxy)ethyl]cyclopentane-1-carboxylic acid
CID 79571683
ethyl 1-amino-2-(3-methoxypropyl)cyclohexane-1-carboxylate
CID 67920795
methyl 1-amino-2-[2-[2-(2-methylpropoxy)ethoxy]ethyl]cyclopentane-1-carboxylate
CID 106448827
1-amino-2-(2-butoxyethyl)cyclopentane-1-carboxamide
CID 79588205
ethyl 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxylate
CID 79586523
1-amino-2-(2-octoxyethyl)cyclopentane-1-carboxylic acid
CID 79571531
1-amino-2-(2-heptoxyethyl)cyclopentane-1-carboxamide
CID 79571750
ethyl 1-(methylamino)-2-(2-propoxyethyl)cyclopentane-1-carboxylate
CID 79588199
methyl 1-amino-2-[2-(2-ethylbutoxy)ethyl]cyclopentane-1-carboxylate
CID 114208545
ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561544
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564538

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate (CID 79581836) is ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate is CCOCCOCCC1CCCC1(N)C(=O)OCC.
What is the InChIKey of ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate?
The InChIKey is XROCVRHCHJQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-3-17-10-11-18-9-7-12-6-5-8-14(12,15)13(16)19-4-2/h12H,3-11,15H2,1-2H3.
What are the key properties of ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate has a molecular weight of 273.37 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 79581836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).