ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate

C10H19NO4 — CID 163862980

IUPACethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
SMILESCCOCC(=O)CCNCC(=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-14-8-9(12)5-6-11-7-10(13)15-4-2/h11H,3-8H2,1-2H3
InChIKeyPEEBMJZNQRXZGF-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.13
Rot. Bonds9

About ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate

ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate (PubChem CID 163862980) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
PubChem CID163862980
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate
SMILESCCOCC(=O)CCNCC(=O)OCC
InChIInChI=1S/C10H19NO4/c1-3-14-8-9(12)5-6-11-7-10(13)15-4-2/h11H,3-8H2,1-2H3
InChIKeyPEEBMJZNQRXZGF-UHFFFAOYSA-N
XLogP0.13
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 43591020
ethyl 2-(2-carbamoyloxyethylamino)acetate
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ethoxyethane;bis(ethyl 2-ethoxyacetate)
CID 160643191
ethyl 2-ethoxyacetate;methyl 3-hydroxypropanoate
CID 174878404
ethyl 2-(4,4-diethoxybutylamino)acetate
CID 119084301
ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399434
ethyl 2-(2-diethoxyphosphorylethylamino)acetate
CID 112742494
ethyl 2-(hex-5-enylamino)acetate
CID 10867857
ethane;ethyl 2-(5-sulfanylpentylamino)acetate
CID 142399433
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate (CID 163862980) is ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate is CCOCC(=O)CCNCC(=O)OCC.
What is the InChIKey of ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate?
The InChIKey is PEEBMJZNQRXZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-3-14-8-9(12)5-6-11-7-10(13)15-4-2/h11H,3-8H2,1-2H3.
What are the key properties of ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate?
ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate has a molecular weight of 217.26 g/mol, XLogP of 0.13, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethoxy-3-oxobutyl)amino]acetate is sourced from PubChem (CID 163862980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).