2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate

C11H23NO3 — CID 112588145

IUPAC2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
SMILESCC(N)CCC(=O)OCCOC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(12)5-6-10(13)14-7-8-15-11(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyYSLQVZMDMURBKW-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.47
Rot. Bonds6

About 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate

2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate (PubChem CID 112588145) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
PubChem CID112588145
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate
SMILESCC(N)CCC(=O)OCCOC(C)(C)C
InChIInChI=1S/C11H23NO3/c1-9(12)5-6-10(13)14-7-8-15-11(2,3)4/h9H,5-8,12H2,1-4H3
InChIKeyYSLQVZMDMURBKW-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (4R)-4-aminopentanoate
CID 58781983
2-[(2-methylpropan-2-yl)oxy]ethyl 6-amino-2-methylheptanoate
CID 112588229
methane;2-[(2-methylpropan-2-yl)oxy]ethyl pentanoate
CID 174484867
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-2-amine
CID 112587422
2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
CID 112588033
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-2-amino-4-methylsulfanylbutanoate
CID 104909740
2-[2-(4-sulfanylpentanoyloxy)ethoxy]ethyl 4-sulfanylpentanoate
CID 87208223
4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pentanehydrazide
CID 112590279
4-amino-2-methyl-7-[(2-methylpropan-2-yl)oxy]heptan-3-one
CID 176774620
2-[2-[2-[2-(4-methylpentanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 4-methylpentanoate
CID 88715072
2-[(2-methylpropan-2-yl)oxy]ethyl 3-phenylbutanoate
CID 160511208
(2S)-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-amine
CID 103939491

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate (CID 112588145) is 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate is CC(N)CCC(=O)OCCOC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate?
The InChIKey is YSLQVZMDMURBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-9(12)5-6-10(13)14-7-8-15-11(2,3)4/h9H,5-8,12H2,1-4H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate?
2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]ethyl 4-aminopentanoate is sourced from PubChem (CID 112588145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).