ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate

C12H22N2O3 — CID 60671852

IUPACethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-2-17-12(16)6-5-7-13-10-11(15)14-8-3-4-9-14/h13H,2-10H2,1H3
InChIKeyIVZIXCFJPFIYKQ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds7

About ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate

ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate (PubChem CID 60671852) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
PubChem CID60671852
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nameethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
SMILESCCOC(=O)CCCNCC(=O)N1CCCC1
InChIInChI=1S/C12H22N2O3/c1-2-17-12(16)6-5-7-13-10-11(15)14-8-3-4-9-14/h13H,2-10H2,1H3
InChIKeyIVZIXCFJPFIYKQ-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]amino]butanoate
CID 95358497
1-[2-[(3-ethoxy-3-oxopropyl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245400
diphenylmethanol;ethane;ethyl 2-[(4-oxo-4-pyrrolidin-1-ylbutyl)amino]acetate
CID 142361312
ethyl 4-[[2-(cyclopentylamino)-2-oxoethyl]amino]butanoate
CID 60648375
2-(2-aminoethylamino)-1-(azepan-1-yl)ethanone
CID 62140336
2-(2-aminoethylamino)-1-piperidin-1-ylethanone
CID 62140335
ethyl 4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]butanoate
CID 60648237
ethyl 4-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]butanoate
CID 60687680
1-(azepan-1-yl)-2-(5-methylhexylamino)ethanone
CID 113287464
ethyl 4-(propylamino)butanoate;hydrochloride
CID 88662585
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
CID 115583830
ethyl 4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]butanoate
CID 60661333

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate (CID 60671852) is ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate is CCOC(=O)CCCNCC(=O)N1CCCC1.
What is the InChIKey of ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
The InChIKey is IVZIXCFJPFIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-17-12(16)6-5-7-13-10-11(15)14-8-3-4-9-14/h13H,2-10H2,1H3.
What are the key properties of ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate?
ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate has a molecular weight of 242.32 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate is sourced from PubChem (CID 60671852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).