methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate

C12H23NO3 — CID 80700254

IUPACmethyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
SMILESCOCCNC1(C(=O)OC)CCC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-11(2)5-6-12(9-11,10(14)16-4)13-7-8-15-3/h13H,5-9H2,1-4H3
InChIKeyGRFVDGJNEKVKBT-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds5

About methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate

methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate (PubChem CID 80700254) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
PubChem CID80700254
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate
SMILESCOCCNC1(C(=O)OC)CCC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-11(2)5-6-12(9-11,10(14)16-4)13-7-8-15-3/h13H,5-9H2,1-4H3
InChIKeyGRFVDGJNEKVKBT-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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

methyl 8-(2-methoxyethylamino)spiro[4.5]decane-8-carboxylate
CID 114818425
ethyl 1-(2-methoxyethylamino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65086215
methyl 3-(2-methoxyethylamino)-1-methylpyrrolidine-3-carboxylate
CID 62977535
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491
methyl 1-(2-azidoethylamino)-4,4-dimethylcyclohexane-1-carboxylate
CID 66191414
1-(2-methoxyethylamino)cyclohexane-1-carboxylic acid
CID 61340492
ethyl 3,3-dimethyl-1-(prop-2-ynylamino)cyclopentane-1-carboxylate
CID 80700136
3-(2-methoxyethylamino)thiolane-3-carboxylic acid
CID 61341762
methyl 1-hydroxy-3,3-dimethylcyclopentane-1-carboxylate
CID 80700288
1-[2-(dimethylamino)ethylamino]-3,3-dimethylcyclopentane-1-carboxamide
CID 80705706
methyl 1-(2-hydroxyethylamino)cyclobutane-1-carboxylate
CID 136574717
methyl 3,3,5,5-tetramethyl-1-(2-methylpropylamino)cyclohexane-1-carboxylate
CID 112682446

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate (CID 80700254) is methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate is COCCNC1(C(=O)OC)CCC(C)(C)C1.
What is the InChIKey of methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate?
The InChIKey is GRFVDGJNEKVKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-11(2)5-6-12(9-11,10(14)16-4)13-7-8-15-3/h13H,5-9H2,1-4H3.
What are the key properties of methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate?
methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethylamino)-3,3-dimethylcyclopentane-1-carboxylate is sourced from PubChem (CID 80700254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).