3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid

C13H14N2O4 — CID 77135309

IUPAC3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cnccc1C(=O)N1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-12(17)2-1-10-9-14-4-3-11(10)13(18)15-5-7-19-8-6-15/h1-4,9H,5-8H2,(H,16,17)
InChIKeyAVORKLLYNJMPQK-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.65
Rot. Bonds3

About 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid

3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 77135309) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID77135309
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESO=C(O)C=Cc1cnccc1C(=O)N1CCOCC1
InChIInChI=1S/C13H14N2O4/c16-12(17)2-1-10-9-14-4-3-11(10)13(18)15-5-7-19-8-6-15/h1-4,9H,5-8H2,(H,16,17)
InChIKeyAVORKLLYNJMPQK-UHFFFAOYSA-N
XLogP0.65
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[4-(piperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 66472882
(E)-3-[4-(3,4-dihydroxypyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 106673598
(E)-3-[4-(3-methoxypiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 102964358
3-[4-[3-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 77135116
(3-methoxy-4-pyridinyl)-morpholin-4-ylmethanone
CID 105063802
(3-hydroxy-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 80707017
4-[(E)-2-carboxyethenyl]pyridine-3-carboxylic acid
CID 131232837
(4-chloro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 81226471
(E)-3-[4-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 102789104
3-[4-(3-methylthiomorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 77135374
3-[4-(cyclopropylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 77115104
3-[3-(1,4-oxazepane-4-carbonyl)phenyl]prop-2-enoic acid
CID 76979165

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid (CID 77135309) is 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid is O=C(O)C=Cc1cnccc1C(=O)N1CCOCC1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is AVORKLLYNJMPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12(17)2-1-10-9-14-4-3-11(10)13(18)15-5-7-19-8-6-15/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 77135309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).