4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid

C17H29NO2 — CID 122039034

IUPAC4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCC23CCCCC3)CC1
InChIInChI=1S/C17H29NO2/c19-16(20)13-6-8-14(9-7-13)18-15-5-4-12-17(15)10-2-1-3-11-17/h13-15,18H,1-12H2,(H,19,20)
InChIKeyFISAXHMUHYOYFZ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.72
Rot. Bonds3

About 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid

4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 122039034) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid
PubChem CID122039034
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCCC23CCCCC3)CC1
InChIInChI=1S/C17H29NO2/c19-16(20)13-6-8-14(9-7-13)18-15-5-4-12-17(15)10-2-1-3-11-17/h13-15,18H,1-12H2,(H,19,20)
InChIKeyFISAXHMUHYOYFZ-UHFFFAOYSA-N
XLogP3.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropylspiro[4.4]nonan-4-amine
CID 83906412
4-[(1-methylcyclohexyl)methylamino]cyclohexane-1-carboxylic acid
CID 112753652
2-(cyclohexylamino)-1-hydroxycyclohexane-1-carboxylic acid
CID 24974864
3-(cyclopentylamino)cyclopentane-1-carboxylic acid
CID 82933431
4-(oxan-4-ylamino)cyclohexane-1-carboxylic acid
CID 63936456
N-spiro[4.4]nonan-4-ylhydroxylamine
CID 130623414
4-(2-azaspiro[3.4]octane-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 122023871
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
N-(3,4-dimethylcyclohexyl)spiro[3.5]nonan-3-amine
CID 102951968
cyclopropanecarboxylic acid;hydroiodide
CID 67700319

Frequently Asked Questions

What is the IUPAC name of 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid (CID 122039034) is 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC2CCCC23CCCCC3)CC1.
What is the InChIKey of 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is FISAXHMUHYOYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-16(20)13-6-8-14(9-7-13)18-15-5-4-12-17(15)10-2-1-3-11-17/h13-15,18H,1-12H2,(H,19,20).
What are the key properties of 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid?
4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 279.42 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(spiro[4.5]decan-4-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122039034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).