2-amino-4-cyclohexylhexanoic acid

C12H23NO2 — CID 19433409

IUPAC2-amino-4-cyclohexylhexanoic acid
SMILESCCC(CC(N)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-9(8-11(13)12(14)15)10-6-4-3-5-7-10/h9-11H,2-8,13H2,1H3,(H,14,15)
InChIKeySJJONXYYGKJKSL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.39
Rot. Bonds5

About 2-amino-4-cyclohexylhexanoic acid

2-amino-4-cyclohexylhexanoic acid (PubChem CID 19433409) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-amino-4-cyclohexylhexanoic acid.

Molecular Properties

Compound Name2-amino-4-cyclohexylhexanoic acid
PubChem CID19433409
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-amino-4-cyclohexylhexanoic acid
SMILESCCC(CC(N)C(=O)O)C1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-9(8-11(13)12(14)15)10-6-4-3-5-7-10/h9-11H,2-8,13H2,1H3,(H,14,15)
InChIKeySJJONXYYGKJKSL-UHFFFAOYSA-N
XLogP2.39
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-cyclohexylhexanoic acid?
The IUPAC name of 2-amino-4-cyclohexylhexanoic acid (CID 19433409) is 2-amino-4-cyclohexylhexanoic acid.
What is the SMILES notation for 2-amino-4-cyclohexylhexanoic acid?
The canonical SMILES for 2-amino-4-cyclohexylhexanoic acid is CCC(CC(N)C(=O)O)C1CCCCC1.
What is the InChIKey of 2-amino-4-cyclohexylhexanoic acid?
The InChIKey is SJJONXYYGKJKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-9(8-11(13)12(14)15)10-6-4-3-5-7-10/h9-11H,2-8,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-4-cyclohexylhexanoic acid?
2-amino-4-cyclohexylhexanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-cyclohexylhexanoic acid is sourced from PubChem (CID 19433409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).