ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate

C15H28N2O3 — CID 82764089

IUPACethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1(C)CCCC1N
InChIInChI=1S/C15H28N2O3/c1-5-20-13(18)10-17(9-11(2)3)14(19)15(4)8-6-7-12(15)16/h11-12H,5-10,16H2,1-4H3
InChIKeyOCAMYRBVHUAPOR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.55
Rot. Bonds6

About ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate (PubChem CID 82764089) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
PubChem CID82764089
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C1(C)CCCC1N
InChIInChI=1S/C15H28N2O3/c1-5-20-13(18)10-17(9-11(2)3)14(19)15(4)8-6-7-12(15)16/h11-12H,5-10,16H2,1-4H3
InChIKeyOCAMYRBVHUAPOR-UHFFFAOYSA-N
XLogP1.55
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate (CID 82764089) is ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)C1(C)CCCC1N.
What is the InChIKey of ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate?
The InChIKey is OCAMYRBVHUAPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-20-13(18)10-17(9-11(2)3)14(19)15(4)8-6-7-12(15)16/h11-12H,5-10,16H2,1-4H3.
What are the key properties of ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-amino-1-methylcyclopentanecarbonyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 82764089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).