3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid

C16H31NO2 — CID 69267248

IUPAC3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid
SMILESCCC(CC(C)CCC1CCCC1)C(N)CC(=O)O
InChIInChI=1S/C16H31NO2/c1-3-14(15(17)11-16(18)19)10-12(2)8-9-13-6-4-5-7-13/h12-15H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyXRAZBLBGRBRKLC-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.81
Rot. Bonds9

About 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid

3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid (PubChem CID 69267248) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid.

Molecular Properties

Compound Name3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid
PubChem CID69267248
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid
SMILESCCC(CC(C)CCC1CCCC1)C(N)CC(=O)O
InChIInChI=1S/C16H31NO2/c1-3-14(15(17)11-16(18)19)10-12(2)8-9-13-6-4-5-7-13/h12-15H,3-11,17H2,1-2H3,(H,18,19)
InChIKeyXRAZBLBGRBRKLC-UHFFFAOYSA-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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Related Compounds

3-amino-6-cyclopropyl-4-ethylhexanoic acid
CID 69268127
(3S,5R)-3-amino-7-cyclopropyl-5-methylheptanoic acid
CID 68857466
(3S,6R)-3-amino-8-cyclobutyl-6-methyloctanoic acid
CID 68869260
(3R,5R)-3-amino-8-cyclohexyl-5-methyloctanoic acid
CID 68855233
(3R,4S)-3-amino-7-cyclobutyl-4-methylheptanoic acid
CID 68869099
(3S,5S)-3-amino-8-cyclobutyl-5-methyloctanoic acid
CID 68857473
(3S)-3-amino-4-ethylhexanoic acid
CID 738112
(3R)-3-amino-4-ethylhexanoic acid
CID 738110
3-amino-4-ethylhexanoic acid
CID 2733734
(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid
CID 68870656
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
3-amino-5-ethyl-4-methylheptanoic acid
CID 11735605

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid?
The IUPAC name of 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid (CID 69267248) is 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid.
What is the SMILES notation for 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid?
The canonical SMILES for 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid is CCC(CC(C)CCC1CCCC1)C(N)CC(=O)O.
What is the InChIKey of 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid?
The InChIKey is XRAZBLBGRBRKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-14(15(17)11-16(18)19)10-12(2)8-9-13-6-4-5-7-13/h12-15H,3-11,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid?
3-amino-8-cyclopentyl-4-ethyl-6-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 3-amino-8-cyclopentyl-4-ethyl-6-methyloctanoic acid is sourced from PubChem (CID 69267248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).