3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid

C15H18N2O4 — CID 76978653

IUPAC3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESCC1CN(C(=O)c2ccc(C=CC(=O)O)cn2)CC(C)O1
InChIInChI=1S/C15H18N2O4/c1-10-8-17(9-11(2)21-10)15(20)13-5-3-12(7-16-13)4-6-14(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)
InChIKeyLJYHNLFGEQYASB-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.43
Rot. Bonds3

About 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid

3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid (PubChem CID 76978653) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid.

Molecular Properties

Compound Name3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
PubChem CID76978653
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid
SMILESCC1CN(C(=O)c2ccc(C=CC(=O)O)cn2)CC(C)O1
InChIInChI=1S/C15H18N2O4/c1-10-8-17(9-11(2)21-10)15(20)13-5-3-12(7-16-13)4-6-14(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19)
InChIKeyLJYHNLFGEQYASB-UHFFFAOYSA-N
XLogP1.43
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.43
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-[6-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 115966678
(E)-3-[6-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]prop-2-enoic acid
CID 114799638
methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
3-(6-acetyl-3-pyridinyl)prop-2-enoic acid
CID 169460546
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]pyridine-3-carboxylic acid
CID 102934025
[5-(3-aminoprop-1-ynyl)-2-pyridinyl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104959900
(E)-3-(6-carbamoyl-3-pyridinyl)prop-2-enoic acid
CID 62958855
3-[6-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 76978681
3-[6-(methylcarbamoyl)-3-pyridinyl]prop-2-enoic acid
CID 76978782
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219703
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-(1-methylpyrazol-3-yl)methanone
CID 1219704
3-[4-(2-methylmorpholine-4-carbonyl)phenyl]prop-2-enoic acid
CID 76907103

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The IUPAC name of 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid (CID 76978653) is 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid.
What is the SMILES notation for 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The canonical SMILES for 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid is CC1CN(C(=O)c2ccc(C=CC(=O)O)cn2)CC(C)O1.
What is the InChIKey of 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
The InChIKey is LJYHNLFGEQYASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-8-17(9-11(2)21-10)15(20)13-5-3-12(7-16-13)4-6-14(18)19/h3-7,10-11H,8-9H2,1-2H3,(H,18,19).
What are the key properties of 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid?
3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid has a molecular weight of 290.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,6-dimethylmorpholine-4-carbonyl)-3-pyridinyl]prop-2-enoic acid is sourced from PubChem (CID 76978653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).