ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate

C12H23NO3 — CID 103237731

IUPACethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCC1CCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(14)10-15-8-7-13-9-11-5-3-4-6-11/h11,13H,2-10H2,1H3
InChIKeyCWPWTEQAKHOGAN-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.35
Rot. Bonds8

About ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate

ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate (PubChem CID 103237731) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
PubChem CID103237731
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCC1CCCC1
InChIInChI=1S/C12H23NO3/c1-2-16-12(14)10-15-8-7-13-9-11-5-3-4-6-11/h11,13H,2-10H2,1H3
InChIKeyCWPWTEQAKHOGAN-UHFFFAOYSA-N
XLogP1.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-[(1-methylpyrrolidin-3-yl)methylamino]ethoxy]acetate
CID 103239648
ethyl 2-[2-[(1,1-dioxothiolan-3-yl)methylamino]ethoxy]acetate
CID 103242576
ethyl 2-[2-[(2,2-dimethylcyclohexyl)amino]ethoxy]acetate
CID 103256601
ethyl 2-[2-(but-2-ynylamino)ethoxy]acetate
CID 103265382
N-(cyclopentylmethyl)-2-(2-propoxyethoxy)ethanamine
CID 63686610
ethyl 2-[2-(ethoxyamino)ethoxy]acetate
CID 103254485
ethyl 2-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]ethoxy]acetate
CID 103260351
methyl 3-[2-(2-ethoxy-2-oxoethoxy)ethylamino]-2,2-dimethylpropanoate
CID 114283912
ethyl 2-[2-[[2-(diethylamino)-2-oxoethyl]amino]ethoxy]acetate
CID 103263560
ethylcyclohexane;ethyl 2-[2-(2-formamidoethoxy)ethylamino]acetate
CID 176575986
ethyl 2-[2-[(1-methylcyclohexyl)amino]ethoxy]acetate
CID 103244836
ethyl 2-[2-[(2-methyl-2-methylsulfanylpropyl)amino]ethoxy]acetate
CID 103265328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate (CID 103237731) is ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate is CCOC(=O)COCCNCC1CCCC1.
What is the InChIKey of ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate?
The InChIKey is CWPWTEQAKHOGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-2-16-12(14)10-15-8-7-13-9-11-5-3-4-6-11/h11,13H,2-10H2,1H3.
What are the key properties of ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate?
ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate has a molecular weight of 229.32 g/mol, XLogP of 1.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(cyclopentylmethylamino)ethoxy]acetate is sourced from PubChem (CID 103237731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).