(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid

C16H31NO2 — CID 68870826

IUPAC(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
SMILESCC(CCCC1CCCCC1)CC[C@H](CN)C(=O)O
InChIInChI=1S/C16H31NO2/c1-13(10-11-15(12-17)16(18)19)6-5-9-14-7-3-2-4-8-14/h13-15H,2-12,17H2,1H3,(H,18,19)/t13?,15-/m1/s1
InChIKeyWJNYBTRJKBNQGT-AWKYBWMHSA-N
MW269.43 g/mol
LogP3.81
Rot. Bonds9

About (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid

(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid (PubChem CID 68870826) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid.

Molecular Properties

Compound Name(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
PubChem CID68870826
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
SMILESCC(CCCC1CCCCC1)CC[C@H](CN)C(=O)O
InChIInChI=1S/C16H31NO2/c1-13(10-11-15(12-17)16(18)19)6-5-9-14-7-3-2-4-8-14/h13-15H,2-12,17H2,1H3,(H,18,19)/t13?,15-/m1/s1
InChIKeyWJNYBTRJKBNQGT-AWKYBWMHSA-N
XLogP3.81
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid?
The IUPAC name of (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid (CID 68870826) is (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid.
What is the SMILES notation for (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid?
The canonical SMILES for (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid is CC(CCCC1CCCCC1)CC[C@H](CN)C(=O)O.
What is the InChIKey of (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid?
The InChIKey is WJNYBTRJKBNQGT-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H31NO2/c1-13(10-11-15(12-17)16(18)19)6-5-9-14-7-3-2-4-8-14/h13-15H,2-12,17H2,1H3,(H,18,19)/t13?,15-/m1/s1.
What are the key properties of (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid?
(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid has a molecular weight of 269.43 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid is sourced from PubChem (CID 68870826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).