2-[cyclododecyl(propyl)amino]acetic acid

C17H33NO2 — CID 65064979

IUPAC2-[cyclododecyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCCCCCCCCCC1
InChIInChI=1S/C17H33NO2/c1-2-14-18(15-17(19)20)16-12-10-8-6-4-3-5-7-9-11-13-16/h16H,2-15H2,1H3,(H,19,20)
InChIKeyVSRCYRJOHQHZIU-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.46
Rot. Bonds5

About 2-[cyclododecyl(propyl)amino]acetic acid

2-[cyclododecyl(propyl)amino]acetic acid (PubChem CID 65064979) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[cyclododecyl(propyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclododecyl(propyl)amino]acetic acid
PubChem CID65064979
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-[cyclododecyl(propyl)amino]acetic acid
SMILESCCCN(CC(=O)O)C1CCCCCCCCCCC1
InChIInChI=1S/C17H33NO2/c1-2-14-18(15-17(19)20)16-12-10-8-6-4-3-5-7-9-11-13-16/h16H,2-15H2,1H3,(H,19,20)
InChIKeyVSRCYRJOHQHZIU-UHFFFAOYSA-N
XLogP4.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopentyl(nonyl)amino]acetic acid
CID 60835084
2-[2-aminoethyl(cycloheptyl)amino]acetic acid
CID 117013481
N,N-dipropylcyclodecanamine
CID 139723962
2-[propyl-[3-(trifluoromethyl)cyclohexyl]amino]acetic acid
CID 65065038
2-[[1-(dimethylcarbamoyl)piperidin-4-yl]-propylamino]acetic acid
CID 83266595
2-[(3-ethylcyclopentyl)-propylamino]acetic acid
CID 65064749
2-[(3,3-dimethylcyclopentyl)-propylamino]acetic acid
CID 80699036
2-[(1-methylpyrrolidin-3-yl)-propylamino]acetic acid
CID 65065282
2-[cyclopentyl-[3-(methylamino)-3-oxopropyl]amino]acetic acid
CID 62324293
2-[1,4-dioxaspiro[4.5]decan-8-yl(propyl)amino]acetic acid
CID 65064834
3-[cyclohexyl(2-oxopropyl)amino]propanoic acid
CID 82329101
2-[2,3-dihydro-1H-inden-2-yl(propyl)amino]acetic acid
CID 65065076

Frequently Asked Questions

What is the IUPAC name of 2-[cyclododecyl(propyl)amino]acetic acid?
The IUPAC name of 2-[cyclododecyl(propyl)amino]acetic acid (CID 65064979) is 2-[cyclododecyl(propyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclododecyl(propyl)amino]acetic acid?
The canonical SMILES for 2-[cyclododecyl(propyl)amino]acetic acid is CCCN(CC(=O)O)C1CCCCCCCCCCC1.
What is the InChIKey of 2-[cyclododecyl(propyl)amino]acetic acid?
The InChIKey is VSRCYRJOHQHZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-2-14-18(15-17(19)20)16-12-10-8-6-4-3-5-7-9-11-13-16/h16H,2-15H2,1H3,(H,19,20).
What are the key properties of 2-[cyclododecyl(propyl)amino]acetic acid?
2-[cyclododecyl(propyl)amino]acetic acid has a molecular weight of 283.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclododecyl(propyl)amino]acetic acid is sourced from PubChem (CID 65064979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).