ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate

C13H25NO4 — CID 112687244

IUPACethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)COC(C)C
InChIInChI=1S/C13H25NO4/c1-6-17-13(16)8-14(7-10(2)3)12(15)9-18-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRQUATAPJYFZIRC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.46
Rot. Bonds8

About ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate

ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate (PubChem CID 112687244) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
PubChem CID112687244
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nameethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)COC(C)C
InChIInChI=1S/C13H25NO4/c1-6-17-13(16)8-14(7-10(2)3)12(15)9-18-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRQUATAPJYFZIRC-UHFFFAOYSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[benzyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 20799038
ethyl 2-propan-2-yloxyacetate
CID 537908
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-yloxyacetyl)amino]acetate
CID 112690225
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
CID 93371679
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
CID 54871139
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 65227189
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
CID 115426417
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988
ethyl 2-[ethyl(4-methylpentanoyl)amino]acetate
CID 61012376
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835221

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate?
The IUPAC name of ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate (CID 112687244) is ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate?
The canonical SMILES for ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)COC(C)C.
What is the InChIKey of ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate?
The InChIKey is RQUATAPJYFZIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-6-17-13(16)8-14(7-10(2)3)12(15)9-18-11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate?
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate has a molecular weight of 259.35 g/mol, XLogP of 1.46, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate is sourced from PubChem (CID 112687244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).