4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid

C14H17ClN2O5 — CID 126794365

IUPAC4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)Oc1ncc(C(=O)N2CCOC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C14H17ClN2O5/c1-8(2)22-12-10(15)5-9(6-16-12)13(18)17-3-4-21-11(7-17)14(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyDXDNVYBZYSVCJE-UHFFFAOYSA-N
MW328.75 g/mol
LogP1.45
Rot. Bonds4

About 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid

4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid (PubChem CID 126794365) has the molecular formula C14H17ClN2O5 and a molecular weight of 328.75 g/mol. Its IUPAC name is 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
PubChem CID126794365
Molecular FormulaC14H17ClN2O5
Molecular Weight328.75 g/mol
Exact Mass328.08
IUPAC Name4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid
SMILESCC(C)Oc1ncc(C(=O)N2CCOC(C(=O)O)C2)cc1Cl
InChIInChI=1S/C14H17ClN2O5/c1-8(2)22-12-10(15)5-9(6-16-12)13(18)17-3-4-21-11(7-17)14(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyDXDNVYBZYSVCJE-UHFFFAOYSA-N
XLogP1.45
TPSA88.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.75
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699
[2-(4-chlorophenyl)morpholin-4-yl]-(5-chloro-6-propan-2-yloxy-3-pyridinyl)methanone
CID 55947772
[1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 55854581
(2R)-4-(3-bromo-5-propan-2-yloxybenzoyl)morpholine-2-carboxylic acid
CID 129468666
(2R)-4-[3-chloro-5-methoxy-4-(3-methylbutoxy)benzoyl]morpholine-2-carboxylic acid
CID 129468827
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-[3-(2-methylpropoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238893
4-(3-chloro-5-methoxy-4-propoxybenzoyl)morpholine-2-carboxylic acid
CID 119239798
1-(5-chloro-6-ethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533892
(2R)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholine-2-carboxylic acid
CID 129466116
methyl 2-[4-(5,6-dichloropyridine-3-carbonyl)morpholin-2-yl]acetate
CID 79812705
(2S)-4-[6-(azepan-1-yl)pyridine-3-carbonyl]morpholine-2-carboxylic acid
CID 125120657

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
The IUPAC name of 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid (CID 126794365) is 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid.
What is the SMILES notation for 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
The canonical SMILES for 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid is CC(C)Oc1ncc(C(=O)N2CCOC(C(=O)O)C2)cc1Cl.
What is the InChIKey of 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
The InChIKey is DXDNVYBZYSVCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O5/c1-8(2)22-12-10(15)5-9(6-16-12)13(18)17-3-4-21-11(7-17)14(19)20/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid?
4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid has a molecular weight of 328.75 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 126794365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).