2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid

C14H27NO2 — CID 142774620

IUPAC2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid
SMILESCCC(CCCC1CCC1)CC(CN)C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-11(9-13(10-15)14(16)17)5-3-6-12-7-4-8-12/h11-13H,2-10,15H2,1H3,(H,16,17)
InChIKeyDMTDKIFFBXNFJB-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.03
Rot. Bonds9

About 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid

2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid (PubChem CID 142774620) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid
PubChem CID142774620
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid
SMILESCCC(CCCC1CCC1)CC(CN)C(=O)O
InChIInChI=1S/C14H27NO2/c1-2-11(9-13(10-15)14(16)17)5-3-6-12-7-4-8-12/h11-13H,2-10,15H2,1H3,(H,16,17)
InChIKeyDMTDKIFFBXNFJB-UHFFFAOYSA-N
XLogP3.03
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
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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Related Compounds

(2R)-2-(aminomethyl)-8-cyclohexyl-5-methyloctanoic acid
CID 68870826
(2R,4S)-2-(aminomethyl)-6-cyclohexyl-4-methylhexanoic acid
CID 68870656
2-(aminomethyl)-4-ethyl-7-(2,3,5,6-tetrahydroxyphenyl)heptanoic acid
CID 87759622
2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
CID 69268919
5-cyclohexyl-2-(2-cyclohexylethyl)pentanoic acid
CID 22665106
2-(aminomethyl)-7-[3,4-bis(trifluoromethyl)phenyl]-4-ethylheptanoic acid
CID 87759817
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
2-butyl-4-ethyloctanoic acid;nickel
CID 87483186
2-(aminomethyl)-7-(2,5-dimethylphenyl)-4-ethylheptanoic acid
CID 69268670
2-(aminomethyl)-7-(3,5-diethoxyphenyl)-4-ethylheptanoic acid
CID 69268808
5-cycloheptyl-2-ethoxycarbonylpentanoic acid
CID 54419492
tert-butyl (3R)-6-cyclohexyl-3-ethylhexanoate
CID 173240680

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid?
The IUPAC name of 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid (CID 142774620) is 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid.
What is the SMILES notation for 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid?
The canonical SMILES for 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid is CCC(CCCC1CCC1)CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid?
The InChIKey is DMTDKIFFBXNFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-2-11(9-13(10-15)14(16)17)5-3-6-12-7-4-8-12/h11-13H,2-10,15H2,1H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid?
2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-cyclobutyl-4-ethylheptanoic acid is sourced from PubChem (CID 142774620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).