4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid

C17H29NO2 — CID 102631050

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NC2CC3CCC2C3)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C17H29NO2/c1-10-14(7-6-13(16(19)20)17(10,2)3)18-15-9-11-4-5-12(15)8-11/h10-15,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyCEUTZDKXEQOPML-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.29
Rot. Bonds3

About 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid

4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 102631050) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID102631050
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC1C(NC2CC3CCC2C3)CCC(C(=O)O)C1(C)C
InChIInChI=1S/C17H29NO2/c1-10-14(7-6-13(16(19)20)17(10,2)3)18-15-9-11-4-5-12(15)8-11/h10-15,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyCEUTZDKXEQOPML-UHFFFAOYSA-N
XLogP3.29
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 ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-(cyclobutylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631049
2,2,3-trimethyl-4-[(2-methylthian-3-yl)amino]cyclohexane-1-carboxylic acid
CID 102631038
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631044
4-[(3,3-dimethylcyclopentyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631115
2,2,3-trimethyl-4-(sulfamoylamino)cyclohexane-1-carboxylic acid
CID 102627992
2,2,3-trimethyl-4-(2-methylpropanoylamino)cyclohexane-1-carboxylic acid
CID 102627481
4-[(2-amino-2-oxoethyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102630911
4-[(1-cyclopropylpyrrolidin-3-yl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631024
4-[(1,1-dioxothian-3-yl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102631026
4-[(4-hydroxypyrrolidine-2-carbonyl)amino]-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 102629347
4-(but-2-ynoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
CID 107987004
2,2,3-trimethyl-4-[(2-methylcyclopropyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 102630450

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid (CID 102631050) is 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid is CC1C(NC2CC3CCC2C3)CCC(C(=O)O)C1(C)C.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is CEUTZDKXEQOPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-10-14(7-6-13(16(19)20)17(10,2)3)18-15-9-11-4-5-12(15)8-11/h10-15,18H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 279.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102631050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).