(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid

C15H29NO2 — CID 68855233

IUPAC(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
SMILESC[C@H](CCCC1CCCCC1)C[C@@H](N)CC(=O)O
InChIInChI=1S/C15H29NO2/c1-12(10-14(16)11-15(17)18)6-5-9-13-7-3-2-4-8-13/h12-14H,2-11,16H2,1H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyZJAJKCCBTNIBID-TZMCWYRMSA-N
MW255.40 g/mol
LogP3.57
Rot. Bonds8

About (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid

(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid (PubChem CID 68855233) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid.

Molecular Properties

Compound Name(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
PubChem CID68855233
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
SMILESC[C@H](CCCC1CCCCC1)C[C@@H](N)CC(=O)O
InChIInChI=1S/C15H29NO2/c1-12(10-14(16)11-15(17)18)6-5-9-13-7-3-2-4-8-13/h12-14H,2-11,16H2,1H3,(H,17,18)/t12-,14-/m1/s1
InChIKeyZJAJKCCBTNIBID-TZMCWYRMSA-N
XLogP3.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
(3S,6S)-3-amino-7-cyclohexyl-6-methylheptanoic acid
CID 68869731
(3S,6R)-3-amino-8-cyclobutyl-6-methyloctanoic acid
CID 68869260
3-amino-5-methylnonanoic acid;hydrochloride
CID 75078744
(3S)-3-amino-4-cyclopentylbutanoic acid
CID 55254497
3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid
CID 69267248
(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
CID 68870826
(3S,5R)-3-amino-5-methyloctanoic acid;hydrochloride
CID 11701275
(3S)-3-amino-4-cyclobutylbutanoic acid
CID 66644622

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid?
The IUPAC name of (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid (CID 68855233) is (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid.
What is the SMILES notation for (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid?
The canonical SMILES for (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid is C[C@H](CCCC1CCCCC1)C[C@@H](N)CC(=O)O.
What is the InChIKey of (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid?
The InChIKey is ZJAJKCCBTNIBID-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(10-14(16)11-15(17)18)6-5-9-13-7-3-2-4-8-13/h12-14H,2-11,16H2,1H3,(H,17,18)/t12-,14-/m1/s1.
What are the key properties of (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid?
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid has a molecular weight of 255.40 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid is sourced from PubChem (CID 68855233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).