ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate

C16H32N2O3 — CID 82941282

IUPACethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCN(CCOC)C(C)C
InChIInChI=1S/C16H32N2O3/c1-5-21-15(19)16(17)9-6-7-14(16)8-10-18(13(2)3)11-12-20-4/h13-14H,5-12,17H2,1-4H3
InChIKeyAFSGPPKTSOMKIQ-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.79
Rot. Bonds9

About ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate

ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate (PubChem CID 82941282) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
PubChem CID82941282
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nameethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate
SMILESCCOC(=O)C1(N)CCCC1CCN(CCOC)C(C)C
InChIInChI=1S/C16H32N2O3/c1-5-21-15(19)16(17)9-6-7-14(16)8-10-18(13(2)3)11-12-20-4/h13-14H,5-12,17H2,1-4H3
InChIKeyAFSGPPKTSOMKIQ-UHFFFAOYSA-N
XLogP1.79
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-amino-2-(3-methoxypropyl)cyclohexane-1-carboxylate
CID 67920795
ethyl 1-amino-2-[2-[2,2-dimethylpropyl(methyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79564538
ethyl 1-amino-2-[2-(2-ethoxyethoxy)ethyl]cyclopentane-1-carboxylate
CID 79581836
1-amino-2-[2-[2-methoxyethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carboxamide
CID 79563769
ethyl 1-amino-2-[2-(2-methylbutylsulfanyl)ethyl]cyclopentane-1-carboxylate
CID 107755933
1-amino-2-[2-[methyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 79577891
2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]-1-(methylamino)cyclopentane-1-carbonitrile
CID 82959909
ethyl 2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]-1-aminocyclopentane-1-carboxylate
CID 115561544
[1-(cyclopropylamino)-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentyl]methanol
CID 82944341
ethyl 1-amino-2-(2-butylsulfanylethyl)cyclopentane-1-carboxylate
CID 79586523
ethyl 1-amino-2-[2-(2-methylmorpholin-4-yl)ethyl]cyclopentane-1-carboxylate
CID 79577577
methyl 1-amino-2-[2-[ethyl(2-ethylbutyl)amino]ethyl]cyclopentane-1-carboxylate
CID 79565663

Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate (CID 82941282) is ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate is CCOC(=O)C1(N)CCCC1CCN(CCOC)C(C)C.
What is the InChIKey of ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate?
The InChIKey is AFSGPPKTSOMKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-5-21-15(19)16(17)9-6-7-14(16)8-10-18(13(2)3)11-12-20-4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate?
ethyl 1-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 1.79, 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-methoxyethyl(propan-2-yl)amino]ethyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 82941282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).