2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid

C16H30N2O2 — CID 122042803

IUPAC2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CCCCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-18(12-16(19)20)15-10-14(11-15)17-13-8-6-4-3-5-7-9-13/h13-15,17H,2-12H2,1H3,(H,19,20)
InChIKeyAUASUAAQLILLKV-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.63
Rot. Bonds6

About 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid

2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid (PubChem CID 122042803) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
PubChem CID122042803
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NC2CCCCCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-18(12-16(19)20)15-10-14(11-15)17-13-8-6-4-3-5-7-9-13/h13-15,17H,2-12H2,1H3,(H,19,20)
InChIKeyAUASUAAQLILLKV-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[[3-[(3,4-dimethylcyclohexyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042518
2-[[3-(3-cyclohexylpropylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042436
2-[ethyl-[3-[(4-methyl-4-phenylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122042745
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345
2-[[3-[(2,5-dimethyloxolan-3-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042160
2-[ethyl-[3-[(3-propan-2-ylcyclohexyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122000847
2-[cyclopropylmethyl-[3-[(4,4-dimethylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041865
2-[[3-[(4-cyclobutylpiperazine-1-carbonyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122025483
2-[[3-[(2-cyclopentyl-2-methylpropyl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122007740
2-[[3-[2-(azepan-1-yl)propanoylamino]cyclobutyl]-ethylamino]acetic acid
CID 128996384
2-[cyclopropylmethyl-[3-[(4-propan-2-ylcyclohexyl)amino]cyclobutyl]amino]acetic acid
CID 122041857

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid?
The IUPAC name of 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid (CID 122042803) is 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid.
What is the SMILES notation for 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid?
The canonical SMILES for 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid is CCN(CC(=O)O)C1CC(NC2CCCCCCC2)C1.
What is the InChIKey of 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid?
The InChIKey is AUASUAAQLILLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-18(12-16(19)20)15-10-14(11-15)17-13-8-6-4-3-5-7-9-13/h13-15,17H,2-12H2,1H3,(H,19,20).
What are the key properties of 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid?
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid has a molecular weight of 282.43 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid is sourced from PubChem (CID 122042803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).