diethyl 2-[butanoyl(ethyl)amino]propanedioate

C13H23NO5 — CID 175292831

IUPACdiethyl 2-[butanoyl(ethyl)amino]propanedioate
SMILESCCCC(=O)N(CC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C13H23NO5/c1-5-9-10(15)14(6-2)11(12(16)18-7-3)13(17)19-8-4/h11H,5-9H2,1-4H3
InChIKeyLNTIXDGLYUZBBB-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.13
Rot. Bonds8

About diethyl 2-[butanoyl(ethyl)amino]propanedioate

diethyl 2-[butanoyl(ethyl)amino]propanedioate (PubChem CID 175292831) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is diethyl 2-[butanoyl(ethyl)amino]propanedioate.

Molecular Properties

Compound Namediethyl 2-[butanoyl(ethyl)amino]propanedioate
PubChem CID175292831
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Namediethyl 2-[butanoyl(ethyl)amino]propanedioate
SMILESCCCC(=O)N(CC)C(C(=O)OCC)C(=O)OCC
InChIInChI=1S/C13H23NO5/c1-5-9-10(15)14(6-2)11(12(16)18-7-3)13(17)19-8-4/h11H,5-9H2,1-4H3
InChIKeyLNTIXDGLYUZBBB-UHFFFAOYSA-N
XLogP1.13
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl N-ethyl-N-propan-2-ylcarbamate
CID 61216466
2-[butanoyl(ethyl)amino]-3-sulfopropanoic acid
CID 21395635
ethyl (1,2-13C2)butanoate
CID 157463359
ethyl butanoate
CID 7762
diethyl 2-butanoylpropanedioate
CID 13467795
N-(3-aminopropyl)-N-propan-2-ylbutanamide
CID 43136655
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
3-amino-N-butan-2-yl-N-ethylpropanamide
CID 43274458
ethyl 2-amino-3-oxohexanoate
CID 11252792
ethyl (2S)-2-[ethoxycarbonyl(ethyl)amino]-4-methylpentanoate
CID 155570536
diethyl 2-(2-oxopentyl)propanedioate
CID 141107198
ethyl (2S)-2,3-difluoropropanoate
CID 129363096

Frequently Asked Questions

What is the IUPAC name of diethyl 2-[butanoyl(ethyl)amino]propanedioate?
The IUPAC name of diethyl 2-[butanoyl(ethyl)amino]propanedioate (CID 175292831) is diethyl 2-[butanoyl(ethyl)amino]propanedioate.
What is the SMILES notation for diethyl 2-[butanoyl(ethyl)amino]propanedioate?
The canonical SMILES for diethyl 2-[butanoyl(ethyl)amino]propanedioate is CCCC(=O)N(CC)C(C(=O)OCC)C(=O)OCC.
What is the InChIKey of diethyl 2-[butanoyl(ethyl)amino]propanedioate?
The InChIKey is LNTIXDGLYUZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO5/c1-5-9-10(15)14(6-2)11(12(16)18-7-3)13(17)19-8-4/h11H,5-9H2,1-4H3.
What are the key properties of diethyl 2-[butanoyl(ethyl)amino]propanedioate?
diethyl 2-[butanoyl(ethyl)amino]propanedioate has a molecular weight of 273.33 g/mol, XLogP of 1.13, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[butanoyl(ethyl)amino]propanedioate is sourced from PubChem (CID 175292831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).