ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate

C13H25NO3 — CID 62678817

IUPACethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)(C)CC)C(C)C
InChIInChI=1S/C13H25NO3/c1-7-13(5,6)12(16)14(10(3)4)9-11(15)17-8-2/h10H,7-9H2,1-6H3
InChIKeyJOUHLDFFRJCCMJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.22
Rot. Bonds6

About ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate

ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate (PubChem CID 62678817) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate
PubChem CID62678817
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(=O)C(C)(C)CC)C(C)C
InChIInChI=1S/C13H25NO3/c1-7-13(5,6)12(16)14(10(3)4)9-11(15)17-8-2/h10H,7-9H2,1-6H3
InChIKeyJOUHLDFFRJCCMJ-UHFFFAOYSA-N
XLogP2.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate (CID 62678817) is ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate is CCOC(=O)CN(C(=O)C(C)(C)CC)C(C)C.
What is the InChIKey of ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate?
The InChIKey is JOUHLDFFRJCCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-7-13(5,6)12(16)14(10(3)4)9-11(15)17-8-2/h10H,7-9H2,1-6H3.
What are the key properties of ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate?
ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate has a molecular weight of 243.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2,2-dimethylbutanoyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62678817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).