2-(ethylamino)ethyl 4-oxobutanoate

C8H15NO3 — CID 138517503

IUPAC2-(ethylamino)ethyl 4-oxobutanoate
SMILESCCNCCOC(=O)CCC=O
InChIInChI=1S/C8H15NO3/c1-2-9-5-7-12-8(11)4-3-6-10/h6,9H,2-5,7H2,1H3
InChIKeyFBIYIWOUZGLEMG-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.12
Rot. Bonds7

About 2-(ethylamino)ethyl 4-oxobutanoate

2-(ethylamino)ethyl 4-oxobutanoate (PubChem CID 138517503) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-(ethylamino)ethyl 4-oxobutanoate.

Molecular Properties

Compound Name2-(ethylamino)ethyl 4-oxobutanoate
PubChem CID138517503
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-(ethylamino)ethyl 4-oxobutanoate
SMILESCCNCCOC(=O)CCC=O
InChIInChI=1S/C8H15NO3/c1-2-9-5-7-12-8(11)4-3-6-10/h6,9H,2-5,7H2,1H3
InChIKeyFBIYIWOUZGLEMG-UHFFFAOYSA-N
XLogP0.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)ethyl tetradecanoate
CID 22321443
2-[ethyl(methyl)amino]ethyl 4-oxobutanoate
CID 138517568
2-(ethylamino)ethyl hydrogen carbonate;hydrochloride
CID 143701623
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340
heptyl 3-(ethylamino)propanoate
CID 62328311
3-methoxypropyl 3-(ethylamino)propanoate
CID 62327444
2-(2-nonanoyloxyethylamino)ethyl nonanoate
CID 101278322
5-oxopentyl butanoate
CID 54119042
3-(ethylamino)propyl octadecanoate
CID 157471077
2-[(2-methylpropan-2-yl)oxy]ethyl 3-(ethylamino)propanoate
CID 112588033
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
2-(ethylamino)ethyl (4E,6E,7Z,9E)-10-cyano-6-[cyano(isocyano)methylidene]-10-isocyanodeca-4,7,9-trienoate
CID 165172884

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)ethyl 4-oxobutanoate?
The IUPAC name of 2-(ethylamino)ethyl 4-oxobutanoate (CID 138517503) is 2-(ethylamino)ethyl 4-oxobutanoate.
What is the SMILES notation for 2-(ethylamino)ethyl 4-oxobutanoate?
The canonical SMILES for 2-(ethylamino)ethyl 4-oxobutanoate is CCNCCOC(=O)CCC=O.
What is the InChIKey of 2-(ethylamino)ethyl 4-oxobutanoate?
The InChIKey is FBIYIWOUZGLEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-2-9-5-7-12-8(11)4-3-6-10/h6,9H,2-5,7H2,1H3.
What are the key properties of 2-(ethylamino)ethyl 4-oxobutanoate?
2-(ethylamino)ethyl 4-oxobutanoate has a molecular weight of 173.21 g/mol, XLogP of 0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)ethyl 4-oxobutanoate is sourced from PubChem (CID 138517503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).