ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate

C14H28N2O3 — CID 83038145

IUPACethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
SMILESCCCC(NCCCN1CCOCC1)C(=O)OCC
InChIInChI=1S/C14H28N2O3/c1-3-6-13(14(17)19-4-2)15-7-5-8-16-9-11-18-12-10-16/h13,15H,3-12H2,1-2H3
InChIKeyDKOKSUTUCKAOIL-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.03
Rot. Bonds9

About ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate

ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate (PubChem CID 83038145) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
PubChem CID83038145
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-(3-morpholin-4-ylpropylamino)pentanoate
SMILESCCCC(NCCCN1CCOCC1)C(=O)OCC
InChIInChI=1S/C14H28N2O3/c1-3-6-13(14(17)19-4-2)15-7-5-8-16-9-11-18-12-10-16/h13,15H,3-12H2,1-2H3
InChIKeyDKOKSUTUCKAOIL-UHFFFAOYSA-N
XLogP1.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.03
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

(2R)-2-(3-morpholin-4-ylpropylcarbamoylamino)pentanoic acid
CID 107566142
ethyl 3-(2-morpholin-4-ylethylamino)-4-oxopentanoate
CID 82322156
tert-butyl 2-(3-morpholin-4-ylpropylamino)propanoate
CID 66336839
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
methyl 2-methyl-3-(3-morpholin-4-ylpropylamino)butanoate
CID 79392477
N'-hydroxy-2-(3-morpholin-4-ylpropylamino)butanimidamide
CID 77028984
ethyl 2-(propylamino)pentanoate
CID 21021838
ethyl (2S)-2-(2,2-dimethylpropanoylamino)-4-morpholin-4-ylbutanoate
CID 122454826
1-(4-aminophenyl)-2-(3-morpholin-4-ylpropylamino)butan-1-one
CID 82258130
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536
1-O-ethyl 3-O-(7-morpholin-4-ylheptyl) 2-ethylpropanedioate
CID 67760616
2-(N'-hydroxycarbamimidoyl)-N-(3-morpholin-4-ylpropyl)pentanamide
CID 76925048

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate?
The IUPAC name of ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate (CID 83038145) is ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate.
What is the SMILES notation for ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate?
The canonical SMILES for ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate is CCCC(NCCCN1CCOCC1)C(=O)OCC.
What is the InChIKey of ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate?
The InChIKey is DKOKSUTUCKAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-6-13(14(17)19-4-2)15-7-5-8-16-9-11-18-12-10-16/h13,15H,3-12H2,1-2H3.
What are the key properties of ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate?
ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate has a molecular weight of 272.39 g/mol, XLogP of 1.03, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-morpholin-4-ylpropylamino)pentanoate is sourced from PubChem (CID 83038145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).