2-[ethyl(methyl)amino]ethyl 4-oxobutanoate

C9H17NO3 — CID 138517568

IUPAC2-[ethyl(methyl)amino]ethyl 4-oxobutanoate
SMILESCCN(C)CCOC(=O)CCC=O
InChIInChI=1S/C9H17NO3/c1-3-10(2)6-8-13-9(12)5-4-7-11/h7H,3-6,8H2,1-2H3
InChIKeyVXGOTALLRWGMPH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.46
Rot. Bonds7

About 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate

2-[ethyl(methyl)amino]ethyl 4-oxobutanoate (PubChem CID 138517568) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]ethyl 4-oxobutanoate
PubChem CID138517568
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-[ethyl(methyl)amino]ethyl 4-oxobutanoate
SMILESCCN(C)CCOC(=O)CCC=O
InChIInChI=1S/C9H17NO3/c1-3-10(2)6-8-13-9(12)5-4-7-11/h7H,3-6,8H2,1-2H3
InChIKeyVXGOTALLRWGMPH-UHFFFAOYSA-N
XLogP0.46
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(methyl)amino]ethyl 3-aminopropanoate
CID 89304137
butyl 3-[ethyl(methyl)amino]propanoate
CID 20769162
2-(ethylamino)ethyl 4-oxobutanoate
CID 138517503
2-[methyl-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate;hydrochloride
CID 173188772
4-[2-[2-methoxyethyl(4-oxobutanoyl)amino]ethoxy]-4-oxobutanoic acid
CID 142491942
4-oxo-4-[3-(4-oxobutanoyloxy)propoxy]butanoic acid
CID 58884340
2-[2-hydroxyethyl(methyl)amino]ethyl propanoate
CID 123682095
2-[methyl(2-octadeca-9,12-dienoyloxyethyl)amino]ethyl octadeca-9,12-dienoate
CID 123369708
bis[2-[2-hydroxyethyl(methyl)amino]ethyl] (E)-octadec-9-enedioate
CID 87663821
2-(dimethylamino)ethyl docosa-4,7,10,13,16,19-hexaenoate
CID 54467416
5-oxopentyl butanoate
CID 54119042
2-[2-acetyloxyethyl(methyl)amino]ethyl propanoate;ethane
CID 142272476

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate?
The IUPAC name of 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate (CID 138517568) is 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate.
What is the SMILES notation for 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate?
The canonical SMILES for 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate is CCN(C)CCOC(=O)CCC=O.
What is the InChIKey of 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate?
The InChIKey is VXGOTALLRWGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-10(2)6-8-13-9(12)5-4-7-11/h7H,3-6,8H2,1-2H3.
What are the key properties of 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate?
2-[ethyl(methyl)amino]ethyl 4-oxobutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]ethyl 4-oxobutanoate is sourced from PubChem (CID 138517568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).