ethyl 2-[di(propan-2-yl)amino]acetate

C10H21NO2 — CID 13010783

IUPACethyl 2-[di(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-13-10(12)7-11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyKPRODKQFPFNXKQ-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds5

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

ethyl 2-[di(propan-2-yl)amino]acetate (PubChem CID 13010783) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 2-[di(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[di(propan-2-yl)amino]acetate
PubChem CID13010783
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 2-[di(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(C(C)C)C(C)C
InChIInChI=1S/C10H21NO2/c1-6-13-10(12)7-11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3
InChIKeyKPRODKQFPFNXKQ-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[di(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[di(propan-2-yl)amino]acetate (CID 13010783) is ethyl 2-[di(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[di(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[di(propan-2-yl)amino]acetate is CCOC(=O)CN(C(C)C)C(C)C.
What is the InChIKey of ethyl 2-[di(propan-2-yl)amino]acetate?
The InChIKey is KPRODKQFPFNXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-6-13-10(12)7-11(8(2)3)9(4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of ethyl 2-[di(propan-2-yl)amino]acetate?
ethyl 2-[di(propan-2-yl)amino]acetate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[di(propan-2-yl)amino]acetate is sourced from PubChem (CID 13010783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).