ethyl 2-[bis(2-methylpropyl)amino]acetate

C12H25NO2 — CID 17538

IUPACethyl 2-[bis(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)CC(C)C
InChIInChI=1S/C12H25NO2/c1-6-15-12(14)9-13(7-10(2)3)8-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRUANENNXSBNRIP-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.16
Rot. Bonds7

About ethyl 2-[bis(2-methylpropyl)amino]acetate

ethyl 2-[bis(2-methylpropyl)amino]acetate (PubChem CID 17538) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is ethyl 2-[bis(2-methylpropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(2-methylpropyl)amino]acetate
PubChem CID17538
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Nameethyl 2-[bis(2-methylpropyl)amino]acetate
SMILESCCOC(=O)CN(CC(C)C)CC(C)C
InChIInChI=1S/C12H25NO2/c1-6-15-12(14)9-13(7-10(2)3)8-11(4)5/h10-11H,6-9H2,1-5H3
InChIKeyRUANENNXSBNRIP-UHFFFAOYSA-N
XLogP2.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[bis(2-methylpropyl)amino]acetate?
The IUPAC name of ethyl 2-[bis(2-methylpropyl)amino]acetate (CID 17538) is ethyl 2-[bis(2-methylpropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bis(2-methylpropyl)amino]acetate?
The canonical SMILES for ethyl 2-[bis(2-methylpropyl)amino]acetate is CCOC(=O)CN(CC(C)C)CC(C)C.
What is the InChIKey of ethyl 2-[bis(2-methylpropyl)amino]acetate?
The InChIKey is RUANENNXSBNRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-15-12(14)9-13(7-10(2)3)8-11(4)5/h10-11H,6-9H2,1-5H3.
What are the key properties of ethyl 2-[bis(2-methylpropyl)amino]acetate?
ethyl 2-[bis(2-methylpropyl)amino]acetate has a molecular weight of 215.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(2-methylpropyl)amino]acetate is sourced from PubChem (CID 17538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).