(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid

C14H27NO2 — CID 56994800

IUPAC(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
SMILESCC(CC1CCCCC1)C[C@H](CN)CC(=O)O
InChIInChI=1S/C14H27NO2/c1-11(7-12-5-3-2-4-6-12)8-13(10-15)9-14(16)17/h11-13H,2-10,15H2,1H3,(H,16,17)/t11?,13-/m0/s1
InChIKeyLUHAQNAPMJQCNM-YUZLPWPTSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds7

About (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid

(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid (PubChem CID 56994800) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid.

Molecular Properties

Compound Name(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
PubChem CID56994800
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid
SMILESCC(CC1CCCCC1)C[C@H](CN)CC(=O)O
InChIInChI=1S/C14H27NO2/c1-11(7-12-5-3-2-4-6-12)8-13(10-15)9-14(16)17/h11-13H,2-10,15H2,1H3,(H,16,17)/t11?,13-/m0/s1
InChIKeyLUHAQNAPMJQCNM-YUZLPWPTSA-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 (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid?
The IUPAC name of (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid (CID 56994800) is (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid.
What is the SMILES notation for (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid?
The canonical SMILES for (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid is CC(CC1CCCCC1)C[C@H](CN)CC(=O)O.
What is the InChIKey of (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid?
The InChIKey is LUHAQNAPMJQCNM-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(7-12-5-3-2-4-6-12)8-13(10-15)9-14(16)17/h11-13H,2-10,15H2,1H3,(H,16,17)/t11?,13-/m0/s1.
What are the key properties of (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid?
(3S)-3-(aminomethyl)-6-cyclohexyl-5-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 (3S)-3-(aminomethyl)-6-cyclohexyl-5-methylhexanoic acid is sourced from PubChem (CID 56994800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).