ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate

C11H21NO4 — CID 79649290

IUPACethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(OCCOC)C1
InChIInChI=1S/C11H21NO4/c1-3-15-10(13)11(12)5-4-9(8-11)16-7-6-14-2/h9H,3-8,12H2,1-2H3
InChIKeyZFADTXSPZGASAI-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.46
Rot. Bonds6

About ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate

ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate (PubChem CID 79649290) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
PubChem CID79649290
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nameethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCC(OCCOC)C1
InChIInChI=1S/C11H21NO4/c1-3-15-10(13)11(12)5-4-9(8-11)16-7-6-14-2/h9H,3-8,12H2,1-2H3
InChIKeyZFADTXSPZGASAI-UHFFFAOYSA-N
XLogP0.46
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.46
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

ethyl 1-amino-3-butoxycyclopentane-1-carboxylate
CID 79648394
ethyl 1-amino-3-(2-methylpropoxy)cyclopentane-1-carboxylate
CID 79649440
1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 104565132
methyl 1-amino-3-(2-propoxyethoxy)cyclopentane-1-carboxylate
CID 79649404
ethyl 1-amino-3-(4-methoxyphenoxy)cyclopentane-1-carboxylate
CID 79649236
ethyl 3-(2-methoxyethoxy)-1-(propan-2-ylamino)cyclohexane-1-carboxylate
CID 79638229
ethyl 1-amino-3-[1-methoxypropan-2-yl(methyl)amino]cyclopentane-1-carboxylate
CID 79655725
ethyl 1-amino-3-cyanocyclopentane-1-carboxylate
CID 163217382
ethyl 1-amino-3-(3,5-difluorophenoxy)cyclopentane-1-carboxylate
CID 79649248
ethyl 1-amino-3-[ethyl(1-methoxypropan-2-yl)amino]cyclopentane-1-carboxylate
CID 79655068
1-amino-3-(2-propan-2-yloxyethoxy)cyclopentane-1-carboxylic acid
CID 79649444
ethyl 1-amino-3-(4-ethoxypiperidin-1-yl)cyclopentane-1-carboxylate
CID 79654989

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate (CID 79649290) is ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCC(OCCOC)C1.
What is the InChIKey of ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate?
The InChIKey is ZFADTXSPZGASAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-3-15-10(13)11(12)5-4-9(8-11)16-7-6-14-2/h9H,3-8,12H2,1-2H3.
What are the key properties of ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate?
ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate has a molecular weight of 231.29 g/mol, XLogP of 0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-(2-methoxyethoxy)cyclopentane-1-carboxylate is sourced from PubChem (CID 79649290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).