ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate

C15H21N3O4 — CID 45497405

IUPACethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C15H21N3O4/c1-2-22-15(20)14(19)17-11-13(12-4-3-5-16-10-12)18-6-8-21-9-7-18/h3-5,10,13H,2,6-9,11H2,1H3,(H,17,19)
InChIKeyPVFGGWOACNZHNW-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.13
Rot. Bonds5

About ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate

ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate (PubChem CID 45497405) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
PubChem CID45497405
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Nameethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCC(c1cccnc1)N1CCOCC1
InChIInChI=1S/C15H21N3O4/c1-2-22-15(20)14(19)17-11-13(12-4-3-5-16-10-12)18-6-8-21-9-7-18/h3-5,10,13H,2,6-9,11H2,1H3,(H,17,19)
InChIKeyPVFGGWOACNZHNW-UHFFFAOYSA-N
XLogP0.13
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
ethyl 2-[[2-(4-ethylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoacetate
CID 112506594
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
CID 99977577
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(3-phenylpropyl)oxamide
CID 28983026
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
2-(cyclopropylmethylsulfanyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)acetamide
CID 90652629
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
N-(ethylsulfamoyl)-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 110623720
4-(4-methylphenyl)-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)-4-oxobutanamide
CID 110304051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate (CID 45497405) is ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate is CCOC(=O)C(=O)NCC(c1cccnc1)N1CCOCC1.
What is the InChIKey of ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate?
The InChIKey is PVFGGWOACNZHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-2-22-15(20)14(19)17-11-13(12-4-3-5-16-10-12)18-6-8-21-9-7-18/h3-5,10,13H,2,6-9,11H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate?
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate has a molecular weight of 307.35 g/mol, XLogP of 0.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate is sourced from PubChem (CID 45497405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).