ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate

C14H26N2O4 — CID 102676800

IUPACethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C14H26N2O4/c1-2-20-14(19)7-4-8-15-13(18)11-16(9-10-17)12-5-3-6-12/h12,17H,2-11H2,1H3,(H,15,18)
InChIKeyVABJMVXRBYVETJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.29
Rot. Bonds10

About ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate

ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate (PubChem CID 102676800) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
PubChem CID102676800
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)CN(CCO)C1CCC1
InChIInChI=1S/C14H26N2O4/c1-2-20-14(19)7-4-8-15-13(18)11-16(9-10-17)12-5-3-6-12/h12,17H,2-11H2,1H3,(H,15,18)
InChIKeyVABJMVXRBYVETJ-UHFFFAOYSA-N
XLogP0.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
CID 60683876
2-[cyclopentyl(2-hydroxyethyl)amino]-N-(2-methoxyethyl)acetamide
CID 62016627
ethyl 4-[[2-[2-hydroxyethyl(pentan-3-yl)amino]acetyl]amino]butanoate
CID 62015098
ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
2-[cyclobutyl(3-hydroxypropyl)amino]-N-(3-methoxypropyl)acetamide
CID 102848725
ethyl 4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoate
CID 103864941
methyl 2-[cyclobutyl(2-hydroxyethyl)amino]acetate
CID 102677162
methyl 4-[[2-[(4-aminocyclohexyl)-ethylamino]acetyl]amino]butanoate
CID 79114779
N-(2-cyanoethyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677016
2-[cyclobutyl(2-hydroxyethyl)amino]-N-methylacetamide
CID 102676924
ethyl 2-[[cyclobutyl(2-hydroxyethyl)amino]methyl]prop-2-enoate
CID 102863943
ethyl 4-[[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetyl]amino]butanoate
CID 115638060

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate (CID 102676800) is ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate is CCOC(=O)CCCNC(=O)CN(CCO)C1CCC1.
What is the InChIKey of ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate?
The InChIKey is VABJMVXRBYVETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-20-14(19)7-4-8-15-13(18)11-16(9-10-17)12-5-3-6-12/h12,17H,2-11H2,1H3,(H,15,18).
What are the key properties of ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate?
ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate has a molecular weight of 286.37 g/mol, XLogP of 0.29, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate is sourced from PubChem (CID 102676800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).