ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate

C13H26N2O3 — CID 115426417

IUPACethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C(C)(C)CN
InChIInChI=1S/C13H26N2O3/c1-6-18-11(16)8-15(7-10(2)3)12(17)13(4,5)9-14/h10H,6-9,14H2,1-5H3
InChIKeyYKNBACOHHKEQBA-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.02
Rot. Bonds7

About ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate

ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate (PubChem CID 115426417) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
PubChem CID115426417
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nameethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)C(=O)C(C)(C)CN
InChIInChI=1S/C13H26N2O3/c1-6-18-11(16)8-15(7-10(2)3)12(17)13(4,5)9-14/h10H,6-9,14H2,1-5H3
InChIKeyYKNBACOHHKEQBA-UHFFFAOYSA-N
XLogP1.02
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-aminopropanoyl(2-methylpropyl)amino]acetate
CID 60947748
ethyl 2-[[(2R)-2-amino-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 79013313
ethyl 2-[[2-(aminomethyl)-3-methylbutanoyl]-(2-methylpropyl)amino]acetate
CID 65227189
ethyl 2-[2-methylpropyl-(2-propan-2-yloxyacetyl)amino]acetate
CID 112687244
ethyl 2-[[(2R)-2-amino-4-methylpentanoyl]-(2-methylpropyl)amino]acetate
CID 93371679
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-cyclopropylamino]acetate
CID 113307595
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]-(2-methylpropyl)amino]acetate
CID 54871139
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
ethyl 2-[(3,5-diaminobenzoyl)-(2-methylpropyl)amino]acetate
CID 61105851
ethyl 2-[(2-amino-4-methylsulfonylbutanoyl)-(2-methylpropyl)amino]acetate
CID 60947867
ethyl 2-[2-methylpropyl(sulfamoyl)amino]acetate
CID 112685988

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate (CID 115426417) is ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)C(=O)C(C)(C)CN.
What is the InChIKey of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate?
The InChIKey is YKNBACOHHKEQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-6-18-11(16)8-15(7-10(2)3)12(17)13(4,5)9-14/h10H,6-9,14H2,1-5H3.
What are the key properties of ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate?
ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate has a molecular weight of 258.36 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-amino-2,2-dimethylpropanoyl)-(2-methylpropyl)amino]acetate is sourced from PubChem (CID 115426417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).