ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate

C12H23NO3 — CID 64516424

IUPACethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCC(C)C1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)12(13-7-8-15-3)6-5-10(2)9-12/h10,13H,4-9H2,1-3H3
InChIKeyKADKOFPWKGEECB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds6

About ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate

ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate (PubChem CID 64516424) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
PubChem CID64516424
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate
SMILESCCOC(=O)C1(NCCOC)CCC(C)C1
InChIInChI=1S/C12H23NO3/c1-4-16-11(14)12(13-7-8-15-3)6-5-10(2)9-12/h10,13H,4-9H2,1-3H3
InChIKeyKADKOFPWKGEECB-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
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 3-methyl-1-(2-methylpropylamino)cyclopentane-1-carboxylate
CID 64516421
ethyl 4-methyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60796516
ethyl 3-(2-methoxyethylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 62541011
ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65086215
ethyl 3,5-dimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 64751111
ethyl 4-tert-butyl-1-(propylamino)cyclohexane-1-carboxylate
CID 60797035
ethyl 1-(cyclopropylmethylamino)-3-methylcyclobutane-1-carboxylate
CID 103563541
ethyl 3-(dimethylamino)-1-(propylamino)cyclopentane-1-carboxylate
CID 79649561
ethyl 3-methoxy-1-(propylamino)cyclohexane-1-carboxylate
CID 79637630
ethyl 1-(ethylamino)-3,5-dimethylcyclohexane-1-carboxylate
CID 64750726
ethyl 1-(propylamino)-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64755728
ethyl 3-(3,3-dimethylbutoxy)-1-(propylamino)cyclopentane-1-carboxylate
CID 79644709

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate (CID 64516424) is ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate is CCOC(=O)C1(NCCOC)CCC(C)C1.
What is the InChIKey of ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate?
The InChIKey is KADKOFPWKGEECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-11(14)12(13-7-8-15-3)6-5-10(2)9-12/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate?
ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethylamino)-3-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 64516424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).