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

C14H26N2O4 — CID 6421826

IUPACpentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCCCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-2-3-4-10-20-14(18)13(17)15-6-5-7-16-8-11-19-12-9-16/h2-12H2,1H3,(H,15,17)
InChIKeyBVVUXYSBCBXNQN-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.56
Rot. Bonds8

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

pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate (PubChem CID 6421826) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.

Molecular Properties

Compound Namepentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
PubChem CID6421826
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Namepentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate
SMILESCCCCCOC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C14H26N2O4/c1-2-3-4-10-20-14(18)13(17)15-6-5-7-16-8-11-19-12-9-16/h2-12H2,1H3,(H,15,17)
InChIKeyBVVUXYSBCBXNQN-UHFFFAOYSA-N
XLogP0.56
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.56
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 pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The IUPAC name of pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate (CID 6421826) is pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate.
What is the SMILES notation for pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The canonical SMILES for pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate is CCCCCOC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
The InChIKey is BVVUXYSBCBXNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-2-3-4-10-20-14(18)13(17)15-6-5-7-16-8-11-19-12-9-16/h2-12H2,1H3,(H,15,17).
What are the key properties of pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate?
pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate has a molecular weight of 286.37 g/mol, XLogP of 0.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(3-morpholin-4-ylpropylamino)-2-oxoacetate is sourced from PubChem (CID 6421826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).