4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid

C14H22N2O4 — CID 79615257

IUPAC4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O4/c17-13(16-3-4-20-8-12(16)14(18)19)7-9-5-10-1-2-11(6-9)15-10/h9-12,15H,1-8H2,(H,18,19)
InChIKeyQQIKUFDMMCODJJ-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.22
Rot. Bonds3

About 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid

4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid (PubChem CID 79615257) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
PubChem CID79615257
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H22N2O4/c17-13(16-3-4-20-8-12(16)14(18)19)7-9-5-10-1-2-11(6-9)15-10/h9-12,15H,1-8H2,(H,18,19)
InChIKeyQQIKUFDMMCODJJ-UHFFFAOYSA-N
XLogP0.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
CID 119782067
4-[2-(4-tert-butylcyclohexyl)acetyl]morpholine-3-carboxylic acid
CID 120521645
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607866
(3R)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholine-3-carboxylic acid
CID 124513583
(2S,4R)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79615394
(2S)-1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79607781
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperidine-2-carboxamide
CID 79607257
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264
1-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 79607697
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 103814616
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684

Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid (CID 79615257) is 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid?
The InChIKey is QQIKUFDMMCODJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13(16-3-4-20-8-12(16)14(18)19)7-9-5-10-1-2-11(6-9)15-10/h9-12,15H,1-8H2,(H,18,19).
What are the key properties of 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid?
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 79615257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).