(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid

C14H27NO2 — CID 68870656

IUPAC(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid
SMILESC[C@@H](CCC1CCCCC1)C[C@H](CN)C(=O)O
InChIInChI=1S/C14H27NO2/c1-11(9-13(10-15)14(16)17)7-8-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyAODQXFLYIDSDCY-WCQYABFASA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds7

About (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid

(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid (PubChem CID 68870656) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid.

Molecular Properties

Compound Name(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid
PubChem CID68870656
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid
SMILESC[C@@H](CCC1CCCCC1)C[C@H](CN)C(=O)O
InChIInChI=1S/C14H27NO2/c1-11(9-13(10-15)14(16)17)7-8-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyAODQXFLYIDSDCY-WCQYABFASA-N
XLogP3.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid?
The IUPAC name of (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid (CID 68870656) is (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid.
What is the SMILES notation for (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid?
The canonical SMILES for (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid is C[C@@H](CCC1CCCCC1)C[C@H](CN)C(=O)O.
What is the InChIKey of (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid?
The InChIKey is AODQXFLYIDSDCY-WCQYABFASA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(9-13(10-15)14(16)17)7-8-12-5-3-2-4-6-12/h11-13H,2-10,15H2,1H3,(H,16,17)/t11-,13+/m0/s1.
What are the key properties of (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid?
(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid is sourced from PubChem (CID 68870656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).