butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate

C13H24N2O4 — CID 6421819

IUPACbutyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-2-3-9-19-13(17)12(16)14-5-4-6-15-7-10-18-11-8-15/h2-11H2,1H3,(H,14,16)
InChIKeyITHDIEFAHYOTIP-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.17
Rot. Bonds7

About butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate

butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate (PubChem CID 6421819) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.

Molecular Properties

Compound Namebutyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
PubChem CID6421819
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namebutyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C13H24N2O4/c1-2-3-9-19-13(17)12(16)14-5-4-6-15-7-10-18-11-8-15/h2-11H2,1H3,(H,14,16)
InChIKeyITHDIEFAHYOTIP-UHFFFAOYSA-N
XLogP0.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The IUPAC name of butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate (CID 6421819) is butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.
What is the SMILES notation for butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The canonical SMILES for butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate is CCCCOC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The InChIKey is ITHDIEFAHYOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-3-9-19-13(17)12(16)14-5-4-6-15-7-10-18-11-8-15/h2-11H2,1H3,(H,14,16).
What are the key properties of butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate has a molecular weight of 272.34 g/mol, XLogP of 0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate is sourced from PubChem (CID 6421819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).