ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate

C14H26N2O3 — CID 95358497

IUPACethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
SMILESCCOC(=O)CCCN[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-19-13(17)8-7-9-15-12(2)14(18)16-10-5-4-6-11-16/h12,15H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyQCQKUGZGDFADOF-GFCCVEGCSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds7

About ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate

ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate (PubChem CID 95358497) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
PubChem CID95358497
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nameethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
SMILESCCOC(=O)CCCN[C@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-3-19-13(17)8-7-9-15-12(2)14(18)16-10-5-4-6-11-16/h12,15H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyQCQKUGZGDFADOF-GFCCVEGCSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate with MolForge

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Related Compounds

1-(azepan-1-yl)-2-(butylamino)propan-1-one
CID 43086925
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 60671852
ethyl 4-[(1-methoxy-1-oxopropan-2-yl)amino]butanoate
CID 64580670
2-(5-hydroxypentylamino)-1-piperidin-1-ylpropan-1-one
CID 113408435
5-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pentanoic acid
CID 103262840
ethyl 4-[[1-(diethylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60720402
ethyl 4-[[1-(methylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671956
ethyl 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60671920
1-piperidin-1-yl-2-(5,5,5-trifluoropentylamino)propan-1-one
CID 115518643
(2R)-2-(2-methoxyethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 7437225
ethyl 3-[(4-ethoxy-4-oxobutyl)amino]butanoate
CID 64579524
ethyl 2-methyl-3-oxo-3-pyrrolidin-1-ylpropanoate
CID 135193493

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate?
The IUPAC name of ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate (CID 95358497) is ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate?
The canonical SMILES for ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate is CCOC(=O)CCCN[C@H](C)C(=O)N1CCCCC1.
What is the InChIKey of ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate?
The InChIKey is QCQKUGZGDFADOF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-3-19-13(17)8-7-9-15-12(2)14(18)16-10-5-4-6-11-16/h12,15H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate?
ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate has a molecular weight of 270.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate is sourced from PubChem (CID 95358497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).