4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid

C14H18N2O5 — CID 82021568

IUPAC4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid
SMILESCOCCCN1C(=O)COC(C(=O)O)C1c1ccncc1
InChIInChI=1S/C14H18N2O5/c1-20-8-2-7-16-11(17)9-21-13(14(18)19)12(16)10-3-5-15-6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19)
InChIKeyBNSKKADCDLUZLQ-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.47
Rot. Bonds6

About 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid

4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid (PubChem CID 82021568) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid
PubChem CID82021568
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid
SMILESCOCCCN1C(=O)COC(C(=O)O)C1c1ccncc1
InChIInChI=1S/C14H18N2O5/c1-20-8-2-7-16-11(17)9-21-13(14(18)19)12(16)10-3-5-15-6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19)
InChIKeyBNSKKADCDLUZLQ-UHFFFAOYSA-N
XLogP0.47
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-4-phenyl-3-pyridin-4-ylmorpholine-2-carboxylic acid
CID 82021571
4-[2-(dimethylamino)ethyl]-5-oxo-3-pyridin-3-ylmorpholine-2-carboxylic acid
CID 82021564
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
3-(3-methoxypropyl)-2-pyridin-4-yl-1,3-thiazolidin-4-one
CID 3670137
(2R,3S)-2-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95291445
(2S,3R)-2-(3-fluorophenyl)-1-(3-methoxypropyl)-6-oxopiperidine-3-carboxylic acid
CID 95291406
4-methyl-5-oxo-3-phenyl-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 71687674
(2R,3S)-4-cyclopropyl-N-(3-methoxypropyl)-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163337634
(2R,3R)-4-ethyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 124709648
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
3-(2-ethylpyrazol-3-yl)-4-methyl-5-oxomorpholine-2-carboxylic acid
CID 114557644
(2S,3R)-5-oxo-3-phenyl-4-propan-2-ylmorpholine-2-carboxylic acid
CID 139598441

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid?
The IUPAC name of 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid (CID 82021568) is 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid?
The canonical SMILES for 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid is COCCCN1C(=O)COC(C(=O)O)C1c1ccncc1.
What is the InChIKey of 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid?
The InChIKey is BNSKKADCDLUZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-20-8-2-7-16-11(17)9-21-13(14(18)19)12(16)10-3-5-15-6-4-10/h3-6,12-13H,2,7-9H2,1H3,(H,18,19).
What are the key properties of 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid?
4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypropyl)-5-oxo-3-pyridin-4-ylmorpholine-2-carboxylic acid is sourced from PubChem (CID 82021568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).