ethyl 2-(ethylamino)acetate

C6H13NO2 — CID 12591597

IUPACethyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OCC
InChIInChI=1S/C6H13NO2/c1-3-7-5-6(8)9-4-2/h7H,3-5H2,1-2H3
InChIKeyNRMPJIHWGVBZBB-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.16
Rot. Bonds4

About ethyl 2-(ethylamino)acetate

ethyl 2-(ethylamino)acetate (PubChem CID 12591597) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is ethyl 2-(ethylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)acetate
PubChem CID12591597
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Nameethyl 2-(ethylamino)acetate
SMILESCCNCC(=O)OCC
InChIInChI=1S/C6H13NO2/c1-3-7-5-6(8)9-4-2/h7H,3-5H2,1-2H3
InChIKeyNRMPJIHWGVBZBB-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)acetate?
The IUPAC name of ethyl 2-(ethylamino)acetate (CID 12591597) is ethyl 2-(ethylamino)acetate.
What is the SMILES notation for ethyl 2-(ethylamino)acetate?
The canonical SMILES for ethyl 2-(ethylamino)acetate is CCNCC(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)acetate?
The InChIKey is NRMPJIHWGVBZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-7-5-6(8)9-4-2/h7H,3-5H2,1-2H3.
What are the key properties of ethyl 2-(ethylamino)acetate?
ethyl 2-(ethylamino)acetate has a molecular weight of 131.18 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)acetate is sourced from PubChem (CID 12591597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).