4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid

C13H17N3O4 — CID 39180266

IUPAC4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C13H17N3O4/c17-12(3-4-13(18)19)15-10-1-2-11(14-9-10)16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,15,17)(H,18,19)
InChIKeyCIZCZOZYESFTCH-UHFFFAOYSA-N
MW279.30 g/mol
LogP0.72
Rot. Bonds5

About 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid

4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid (PubChem CID 39180266) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
PubChem CID39180266
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C13H17N3O4/c17-12(3-4-13(18)19)15-10-1-2-11(14-9-10)16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,15,17)(H,18,19)
InChIKeyCIZCZOZYESFTCH-UHFFFAOYSA-N
XLogP0.72
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329220
2-(3,4-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17453496
2-benzhydrylsulfanyl-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 24590429
3-(2,4-dimethylphenyl)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 16613280
N-(6-morpholin-4-yl-3-pyridinyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 43041424
4-[[6-(3,5-dimethylpiperidin-1-yl)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 82034786
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2-(2,6-dichlorophenyl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 30770460
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-(2,5-dimethylphenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 30770544

Frequently Asked Questions

What is the IUPAC name of 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid (CID 39180266) is 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid?
The InChIKey is CIZCZOZYESFTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4/c17-12(3-4-13(18)19)15-10-1-2-11(14-9-10)16-5-7-20-8-6-16/h1-2,9H,3-8H2,(H,15,17)(H,18,19).
What are the key properties of 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid?
4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid has a molecular weight of 279.30 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 39180266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).