2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid

C14H22N2O4 — CID 66369912

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C14H22N2O4/c17-13(18)11-3-1-2-4-12(11)15-14(19)16-7-9-5-6-10(8-16)20-9/h9-12H,1-8H2,(H,15,19)(H,17,18)
InChIKeySBHLHRQXHIKSEN-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.20
Rot. Bonds2

About 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid

2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 66369912) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID66369912
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1NC(=O)N1CC2CCC(C1)O2
InChIInChI=1S/C14H22N2O4/c17-13(18)11-3-1-2-4-12(11)15-14(19)16-7-9-5-6-10(8-16)20-9/h9-12H,1-8H2,(H,15,19)(H,17,18)
InChIKeySBHLHRQXHIKSEN-UHFFFAOYSA-N
XLogP1.20
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(2-methylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722176
2-(azepane-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 64816878
cis-(1R,2S)-2-(azetidine-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 164662283
2-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 114679599
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962212
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
2-[(3-methoxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 102962999
2-(1,3-dihydroisoindole-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 64815389
2-[(4-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815387
2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 64815349
2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 64815431
2-[(4-tert-butylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64817139

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid (CID 66369912) is 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1NC(=O)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is SBHLHRQXHIKSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c17-13(18)11-3-1-2-4-12(11)15-14(19)16-7-9-5-6-10(8-16)20-9/h9-12H,1-8H2,(H,15,19)(H,17,18).
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid?
2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66369912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).