4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid

C14H19N3O4 — CID 82021564

IUPAC4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid
SMILESCN(C)CCN1C(=O)COC(C(=O)O)C1c1cccnc1
InChIInChI=1S/C14H19N3O4/c1-16(2)6-7-17-11(18)9-21-13(14(19)20)12(17)10-4-3-5-15-8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyOISZQVIBXQBVHI-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.00
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid

4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid (PubChem CID 82021564) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid
PubChem CID82021564
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid
SMILESCN(C)CCN1C(=O)COC(C(=O)O)C1c1cccnc1
InChIInChI=1S/C14H19N3O4/c1-16(2)6-7-17-11(18)9-21-13(14(19)20)12(17)10-4-3-5-15-8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyOISZQVIBXQBVHI-UHFFFAOYSA-N
XLogP-0.00
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid
CID 82021568
(2S,3S)-5-oxo-1-propyl-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 167464072
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
(2S,3R)-N-(2-amino-2-oxoethyl)-4-cyclopropyl-N-methyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699988
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2S,3R)-N-benzyl-4-cyclopropyl-N-ethyl-5-oxo-3-pyridin-3-ylmorpholine-2-carboxamide
CID 134699606
(5R,6S)-4-cyclopropyl-6-(4-methylpiperidine-1-carbonyl)-5-pyridin-3-ylmorpholin-3-one
CID 134704558
(5R,6S)-4-cyclopropyl-6-[4-(hydroxymethyl)piperidine-1-carbonyl]-5-pyridin-3-ylmorpholin-3-one
CID 134695661
3-[2-(dimethylamino)ethyl]-5-(3-hydroxypropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15171473
(5R,6S)-6-(4-acetylpiperazine-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134713313
1-[2-(dimethylamino)ethyl]-6-oxo-2-pyridin-2-ylpiperidine-3-carboxylic acid
CID 82021519

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid (CID 82021564) is 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid is CN(C)CCN1C(=O)COC(C(=O)O)C1c1cccnc1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid?
The InChIKey is OISZQVIBXQBVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-16(2)6-7-17-11(18)9-21-13(14(19)20)12(17)10-4-3-5-15-8-10/h3-5,8,12-13H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid?
4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of -0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid is sourced from PubChem (CID 82021564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).