4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid

C14H24N2O2 — CID 105366142

IUPAC4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCN3CCC2C3)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)10-1-3-12(4-2-10)15-13-6-8-16-7-5-11(13)9-16/h10-13,15H,1-9H2,(H,17,18)
InChIKeyBTTXCEHBLYMKFY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds3

About 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid

4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid (PubChem CID 105366142) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
PubChem CID105366142
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC2CCN3CCC2C3)CC1
InChIInChI=1S/C14H24N2O2/c17-14(18)10-1-3-12(4-2-10)15-13-6-8-16-7-5-11(13)9-16/h10-13,15H,1-9H2,(H,17,18)
InChIKeyBTTXCEHBLYMKFY-UHFFFAOYSA-N
XLogP1.31
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

N-cyclopropyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105363554
4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 105366218
tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate
CID 107234129
N-cyclopropyl-1-azabicyclo[2.2.2]octan-3-amine
CID 43121520
N-(2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364632
4-[[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 122033996
N-(4-methylcyclohexyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43195000
2-(1-azabicyclo[3.2.1]octan-4-ylamino)acetamide
CID 105363555
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]-4-hydroxycyclohexane-1-carboxylic acid
CID 106499037
1-azabicyclo[3.2.1]octan-4-ylhydrazine
CID 105365386
4-(oxan-4-ylamino)cyclohexane-1-carboxylic acid
CID 63936456
4-[(2,5-dimethylcyclohexyl)amino]cyclohexane-1-carboxylic acid
CID 65055017

Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid (CID 105366142) is 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC2CCN3CCC2C3)CC1.
What is the InChIKey of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid?
The InChIKey is BTTXCEHBLYMKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(18)10-1-3-12(4-2-10)15-13-6-8-16-7-5-11(13)9-16/h10-13,15H,1-9H2,(H,17,18).
What are the key properties of 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid?
4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid has a molecular weight of 252.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[3.2.1]octan-4-ylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 105366142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).