tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate

C13H27NO4 — CID 175563215

IUPACtert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate
SMILESCCOC(CCC(=O)OC(C)(C)C)COCCN
InChIInChI=1S/C13H27NO4/c1-5-17-11(10-16-9-8-14)6-7-12(15)18-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyUUOMZSUUJAXYEM-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.49
Rot. Bonds9

About tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate

tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate (PubChem CID 175563215) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate.

Molecular Properties

Compound Nametert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate
PubChem CID175563215
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Nametert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate
SMILESCCOC(CCC(=O)OC(C)(C)C)COCCN
InChIInChI=1S/C13H27NO4/c1-5-17-11(10-16-9-8-14)6-7-12(15)18-13(2,3)4/h11H,5-10,14H2,1-4H3
InChIKeyUUOMZSUUJAXYEM-UHFFFAOYSA-N
XLogP1.49
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[2,3-bis[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]propoxy]propanoate
CID 89312256
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078361
tert-butyl 3-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 77078415
tert-butyl (4R)-4-aminopentanoate
CID 58781983
tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate
CID 156780297
tert-butyl 3-[3-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]methyl]propoxy]propanoate
CID 89312273
tert-butyl 4,5-diaminopentanoate
CID 54288904
tert-butyl 5-[2-(2-aminoethoxy)ethylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate;ethane
CID 145199356
tert-butyl 3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethoxy]propanoate
CID 159291987
tert-butyl 3-[2-[2-[3-[bis[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]propanoate
CID 163296941
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl N-[(2S)-1-(2-aminoethoxy)propan-2-yl]carbamate
CID 155098755

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate?
The IUPAC name of tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate (CID 175563215) is tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate.
What is the SMILES notation for tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate?
The canonical SMILES for tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate is CCOC(CCC(=O)OC(C)(C)C)COCCN.
What is the InChIKey of tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate?
The InChIKey is UUOMZSUUJAXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-17-11(10-16-9-8-14)6-7-12(15)18-13(2,3)4/h11H,5-10,14H2,1-4H3.
What are the key properties of tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate?
tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate has a molecular weight of 261.36 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-aminoethoxy)-4-ethoxypentanoate is sourced from PubChem (CID 175563215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).