4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid

C15H28N2O3 — CID 102629437

IUPAC4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC(N)CCC(=O)NC1CCC(C(=O)O)C(C)(C)C1C
InChIInChI=1S/C15H28N2O3/c1-9(16)5-8-13(18)17-12-7-6-11(14(19)20)15(3,4)10(12)2/h9-12H,5-8,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyDBOJMQNLDVSRJB-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.76
Rot. Bonds5

About 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid

4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid (PubChem CID 102629437) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
PubChem CID102629437
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid
SMILESCC(N)CCC(=O)NC1CCC(C(=O)O)C(C)(C)C1C
InChIInChI=1S/C15H28N2O3/c1-9(16)5-8-13(18)17-12-7-6-11(14(19)20)15(3,4)10(12)2/h9-12H,5-8,16H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyDBOJMQNLDVSRJB-UHFFFAOYSA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid (CID 102629437) is 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid is CC(N)CCC(=O)NC1CCC(C(=O)O)C(C)(C)C1C.
What is the InChIKey of 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
The InChIKey is DBOJMQNLDVSRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-9(16)5-8-13(18)17-12-7-6-11(14(19)20)15(3,4)10(12)2/h9-12H,5-8,16H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid?
4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid has a molecular weight of 284.40 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopentanoylamino)-2,2,3-trimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 102629437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).