tert-butyl 2-(2-cyclopentyloxyethylamino)acetate

C13H25NO3 — CID 63826969

IUPACtert-butyl 2-(2-cyclopentyloxyethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCOC1CCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(15)10-14-8-9-16-11-6-4-5-7-11/h11,14H,4-10H2,1-3H3
InChIKeyQQRHGRFDXIWRBW-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.88
Rot. Bonds6

About tert-butyl 2-(2-cyclopentyloxyethylamino)acetate

tert-butyl 2-(2-cyclopentyloxyethylamino)acetate (PubChem CID 63826969) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl 2-(2-cyclopentyloxyethylamino)acetate.

Molecular Properties

Compound Nametert-butyl 2-(2-cyclopentyloxyethylamino)acetate
PubChem CID63826969
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl 2-(2-cyclopentyloxyethylamino)acetate
SMILESCC(C)(C)OC(=O)CNCCOC1CCCC1
InChIInChI=1S/C13H25NO3/c1-13(2,3)17-12(15)10-14-8-9-16-11-6-4-5-7-11/h11,14H,4-10H2,1-3H3
InChIKeyQQRHGRFDXIWRBW-UHFFFAOYSA-N
XLogP1.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.88
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-cyclopentyloxyethylamino)acetate?
The IUPAC name of tert-butyl 2-(2-cyclopentyloxyethylamino)acetate (CID 63826969) is tert-butyl 2-(2-cyclopentyloxyethylamino)acetate.
What is the SMILES notation for tert-butyl 2-(2-cyclopentyloxyethylamino)acetate?
The canonical SMILES for tert-butyl 2-(2-cyclopentyloxyethylamino)acetate is CC(C)(C)OC(=O)CNCCOC1CCCC1.
What is the InChIKey of tert-butyl 2-(2-cyclopentyloxyethylamino)acetate?
The InChIKey is QQRHGRFDXIWRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2,3)17-12(15)10-14-8-9-16-11-6-4-5-7-11/h11,14H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-(2-cyclopentyloxyethylamino)acetate?
tert-butyl 2-(2-cyclopentyloxyethylamino)acetate has a molecular weight of 243.35 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-cyclopentyloxyethylamino)acetate is sourced from PubChem (CID 63826969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).