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

C12H15N3O4 — CID 62229953

IUPAC3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H15N3O4/c16-11(7-12(17)18)14-9-1-2-10(13-8-9)15-3-5-19-6-4-15/h1-2,8H,3-7H2,(H,14,16)(H,17,18)
InChIKeyGOAWNNBHWXZONJ-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.33
Rot. Bonds4

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

3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid (PubChem CID 62229953) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
PubChem CID62229953
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
SMILESO=C(O)CC(=O)Nc1ccc(N2CCOCC2)nc1
InChIInChI=1S/C12H15N3O4/c16-11(7-12(17)18)14-9-1-2-10(13-8-9)15-3-5-19-6-4-15/h1-2,8H,3-7H2,(H,14,16)(H,17,18)
InChIKeyGOAWNNBHWXZONJ-UHFFFAOYSA-N
XLogP0.33
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[(6-morpholin-4-yl-3-pyridinyl)amino]-4-oxobutanoic acid
CID 39180266
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
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
2-(2,3-dihydro-1H-inden-5-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 43038081
2-(4-cyanophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 17457103
N-(6-morpholin-4-yl-3-pyridinyl)-2-(2-propoxyphenoxy)acetamide
CID 17458922
N-(6-morpholin-4-yl-3-pyridinyl)-2-(9-oxoacridin-10-yl)acetamide
CID 26053246

Frequently Asked Questions

What is the IUPAC name of 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid (CID 62229953) is 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid is O=C(O)CC(=O)Nc1ccc(N2CCOCC2)nc1.
What is the InChIKey of 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid?
The InChIKey is GOAWNNBHWXZONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-11(7-12(17)18)14-9-1-2-10(13-8-9)15-3-5-19-6-4-15/h1-2,8H,3-7H2,(H,14,16)(H,17,18).
What are the key properties of 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid?
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid has a molecular weight of 265.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62229953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).