ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate

C15H28N2O3 — CID 82322180

IUPACethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate
SMILESCCOC(=O)CC(NCCCCN1CCCC1)C(C)=O
InChIInChI=1S/C15H28N2O3/c1-3-20-15(19)12-14(13(2)18)16-8-4-5-9-17-10-6-7-11-17/h14,16H,3-12H2,1-2H3
InChIKeyCZEZQDMFCKMEAO-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.36
Rot. Bonds10

About ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate

ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate (PubChem CID 82322180) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate.

Molecular Properties

Compound Nameethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate
PubChem CID82322180
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate
SMILESCCOC(=O)CC(NCCCCN1CCCC1)C(C)=O
InChIInChI=1S/C15H28N2O3/c1-3-20-15(19)12-14(13(2)18)16-8-4-5-9-17-10-6-7-11-17/h14,16H,3-12H2,1-2H3
InChIKeyCZEZQDMFCKMEAO-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.36
H-Bond Donors ≤ 51
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-oxo-3-(pentylamino)pentanoate
CID 82322145
ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
CID 82322156
ethyl 3-hydroxy-4-(3-pyrrolidin-1-ylpropylamino)butanoate
CID 103250625
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate
CID 90300751
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 5-(azetidin-1-yl)pentanoate
CID 166535323
ethyl 3-[2-(2-hydroxyethoxy)ethylamino]-4-oxopentanoate
CID 82322171
ethyl 3-(2-pyrrolidin-1-ylethylamino)propanoate
CID 46318531
ethyl 2-(ethylamino)-4-pyrrolidin-1-ylbutanoate
CID 63029527
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
diethyl 2-[[5-(2,5-dioxohexan-3-ylamino)-2-methylpentyl]amino]butanedioate
CID 118445194
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818

Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate?
The IUPAC name of ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate (CID 82322180) is ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate.
What is the SMILES notation for ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate?
The canonical SMILES for ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate is CCOC(=O)CC(NCCCCN1CCCC1)C(C)=O.
What is the InChIKey of ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate?
The InChIKey is CZEZQDMFCKMEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-20-15(19)12-14(13(2)18)16-8-4-5-9-17-10-6-7-11-17/h14,16H,3-12H2,1-2H3.
What are the key properties of ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate?
ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate has a molecular weight of 284.40 g/mol, XLogP of 1.36, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxo-3-(4-pyrrolidin-1-ylbutylamino)pentanoate is sourced from PubChem (CID 82322180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).