4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid

C14H22N2O3 — CID 122024417

IUPAC4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC23CCC3)CC1
InChIInChI=1S/C14H22N2O3/c17-12(18)10-2-4-11(5-3-10)15-13(19)16-9-8-14(16)6-1-7-14/h10-11H,1-9H2,(H,15,19)(H,17,18)
InChIKeyYZAHOURRJGDWIZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.97
Rot. Bonds2

About 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid

4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid (PubChem CID 122024417) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid
PubChem CID122024417
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC23CCC3)CC1
InChIInChI=1S/C14H22N2O3/c17-12(18)10-2-4-11(5-3-10)15-13(19)16-9-8-14(16)6-1-7-14/h10-11H,1-9H2,(H,15,19)(H,17,18)
InChIKeyYZAHOURRJGDWIZ-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122023871
4-(oxazinane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122024034
4-[(3-methyl-3-propylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122023316
4-(piperazine-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 19391498
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
4-[(2-cyclobutylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 122024853
4-[(4-methylazepane-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63626346
4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61193762
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61443231
4-[[4-(methoxymethyl)-4-methylpiperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 122023688
cis-(1R,3S)-3-[(3,3-dimethylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319764
3-[(4,4-dimethylazepane-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66031857

Frequently Asked Questions

What is the IUPAC name of 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid (CID 122024417) is 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCC23CCC3)CC1.
What is the InChIKey of 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid?
The InChIKey is YZAHOURRJGDWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-12(18)10-2-4-11(5-3-10)15-13(19)16-9-8-14(16)6-1-7-14/h10-11H,1-9H2,(H,15,19)(H,17,18).
What are the key properties of 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid?
4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid has a molecular weight of 266.34 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azaspiro[3.3]heptane-1-carbonylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).