3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

C14H22N2O5 — CID 68666196

IUPAC3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(O2)C1C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H22N2O5/c17-13(15-3-4-16-5-7-20-8-6-16)11-9-1-2-10(21-9)12(11)14(18)19/h9-12H,1-8H2,(H,15,17)(H,18,19)
InChIKeyRPUKEJQAGJDNFN-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.69
Rot. Bonds5

About 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 68666196) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID68666196
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C2CCC(O2)C1C(=O)NCCN1CCOCC1
InChIInChI=1S/C14H22N2O5/c17-13(15-3-4-16-5-7-20-8-6-16)11-9-1-2-10(21-9)12(11)14(18)19/h9-12H,1-8H2,(H,15,17)(H,18,19)
InChIKeyRPUKEJQAGJDNFN-UHFFFAOYSA-N
XLogP-0.69
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S,5R)-6-(2-morpholin-4-ylethylcarbamoyl)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 134346993
N-(2-morpholin-4-ylethyl)adamantane-2-carboxamide
CID 51250747
(1R,2S,3R,4R)-3-(3-morpholin-4-ylpropylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 100743849
(1R,2S,3S,4R)-3-(3-morpholin-4-ylpropylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124715373
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
(1S,4R)-3-(octadecylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 70879758
(1S,4R)-3-(dodecylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 52949195
(1R,4S)-3-(morpholine-4-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351952
3-(2-oxoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 89326094
N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 110689653
(1R,2R,3R,4R)-3-(2-phenylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 99642307
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CID 68666196) is 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C2CCC(O2)C1C(=O)NCCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RPUKEJQAGJDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c17-13(15-3-4-16-5-7-20-8-6-16)11-9-1-2-10(21-9)12(11)14(18)19/h9-12H,1-8H2,(H,15,17)(H,18,19).
What are the key properties of 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 298.34 g/mol, XLogP of -0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 68666196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).