benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate

C15H23NO3 — CID 118525620

IUPACbenzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate
SMILESCC(C)(C)OCCNCC(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-10-9-16-11-14(17)18-12-13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3
InChIKeyFYFCPBSLFREGPO-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.13
Rot. Bonds7

About benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate

benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate (PubChem CID 118525620) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate
PubChem CID118525620
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namebenzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate
SMILESCC(C)(C)OCCNCC(=O)OCc1ccccc1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-10-9-16-11-14(17)18-12-13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3
InChIKeyFYFCPBSLFREGPO-UHFFFAOYSA-N
XLogP2.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate 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

benzyl 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]acetate
CID 11460698
benzyl 4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetyl]oxybutanoate
CID 138698596
benzyl 2-[[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]acetate
CID 159493604
benzyl 2-[(2-phenylacetyl)amino]acetate
CID 2168453
benzyl 2-benzamidoacetate;ethane
CID 142836612
benzyl (2S)-2-[3-[(2-methylpropan-2-yl)oxy]propylamino]propanoate
CID 67506981
benzyl 2-(3,3-dimethylbutanoylamino)acetate
CID 78799807
[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl]phenyl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 11004906
benzyl 2-[(2-tert-butylsulfanylacetyl)amino]acetate
CID 78786053
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate;3-methoxyprop-1-ene
CID 153402053
benzyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 32677770
(4-phenylphenyl)methyl 2-[(2-phenylacetyl)amino]acetate
CID 7826713

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate?
The IUPAC name of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate (CID 118525620) is benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate.
What is the SMILES notation for benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate?
The canonical SMILES for benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate is CC(C)(C)OCCNCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate?
The InChIKey is FYFCPBSLFREGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-10-9-16-11-14(17)18-12-13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3.
What are the key properties of benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate?
benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate has a molecular weight of 265.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]acetate is sourced from PubChem (CID 118525620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).