3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid

C16H32N2O2 — CID 82330378

IUPAC3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)C1CCCCCCC1
InChIInChI=1S/C16H32N2O2/c1-17(2)12-8-13-18(14-11-16(19)20)15-9-6-4-3-5-7-10-15/h15H,3-14H2,1-2H3,(H,19,20)
InChIKeyRHAGBCGHAYGHEP-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.83
Rot. Bonds8

About 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid

3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid (PubChem CID 82330378) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
PubChem CID82330378
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)C1CCCCCCC1
InChIInChI=1S/C16H32N2O2/c1-17(2)12-8-13-18(14-11-16(19)20)15-9-6-4-3-5-7-10-15/h15H,3-14H2,1-2H3,(H,19,20)
InChIKeyRHAGBCGHAYGHEP-UHFFFAOYSA-N
XLogP2.83
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-carboxyethyl(cyclohexyl)amino]butanoic acid
CID 82330575
3-[cycloheptyl(3-hydroxypropyl)amino]propanoic acid
CID 82330129
3-[cycloheptyl(heptyl)amino]propanoic acid
CID 82328773
3-[cyclohexyl(3-methylbutyl)amino]propanoic acid
CID 82328845
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
N-cyclohexyl-N-methylcyclohexanamine;hexanedioic acid
CID 70625667
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
3-[cyclohexyl(3-phenylpropyl)amino]propanoic acid
CID 82329050
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
3-[cyclopropyl(dodecyl)amino]propanoic acid
CID 62065004
3-[2-carboxyethyl(cyclohexyl)amino]-2-methylpropanoic acid
CID 82329250
3-[cyanomethyl(cycloheptyl)amino]propanoic acid
CID 82328498

Frequently Asked Questions

What is the IUPAC name of 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid?
The IUPAC name of 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid (CID 82330378) is 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid is CN(C)CCCN(CCC(=O)O)C1CCCCCCC1.
What is the InChIKey of 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid?
The InChIKey is RHAGBCGHAYGHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-17(2)12-8-13-18(14-11-16(19)20)15-9-6-4-3-5-7-10-15/h15H,3-14H2,1-2H3,(H,19,20).
What are the key properties of 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid?
3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclooctyl-[3-(dimethylamino)propyl]amino]propanoic acid is sourced from PubChem (CID 82330378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).