3-amino-3-cyclooctylpropanoate

C11H20NO2- — CID 22987137

IUPAC3-amino-3-cyclooctylpropanoate
SMILESNC(CC(=O)[O-])C1CCCCCCC1
InChIInChI=1S/C11H21NO2/c12-10(8-11(13)14)9-6-4-2-1-3-5-7-9/h9-10H,1-8,12H2,(H,13,14)/p-1
InChIKeyCRQLSRXQXOSGQN-UHFFFAOYSA-M
MW198.29 g/mol
LogP0.81
Rot. Bonds3

About 3-amino-3-cyclooctylpropanoate

3-amino-3-cyclooctylpropanoate (PubChem CID 22987137) has the molecular formula C11H20NO2- and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-amino-3-cyclooctylpropanoate.

Molecular Properties

Compound Name3-amino-3-cyclooctylpropanoate
PubChem CID22987137
Molecular FormulaC11H20NO2-
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name3-amino-3-cyclooctylpropanoate
SMILESNC(CC(=O)[O-])C1CCCCCCC1
InChIInChI=1S/C11H21NO2/c12-10(8-11(13)14)9-6-4-2-1-3-5-7-9/h9-10H,1-8,12H2,(H,13,14)/p-1
InChIKeyCRQLSRXQXOSGQN-UHFFFAOYSA-M
XLogP0.81
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;(3S)-3-amino-3-cyclohexylpropanoic acid;hydride
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3-cyclohexylbutanoate
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3-amino-3-cyclopropylpropanoic acid;hydrochloride
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(1S)-1,2-dicyclohexylethanamine
CID 44574818
2-cycloheptyl-1-cyclopentylethanamine
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3-amino-1,3-dicyclopropylpropan-1-one
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1,5-dichloro-1,5-dicyclohexylpentan-3-one
CID 57145786
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792
2-cyclobutyl-1-cycloheptylethanamine
CID 65457005
(4S)-4-amino-4-cyclohexylbutan-1-ol
CID 102516079
1-cyclohexylethanethiol acetate
CID 22215872

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclooctylpropanoate?
The IUPAC name of 3-amino-3-cyclooctylpropanoate (CID 22987137) is 3-amino-3-cyclooctylpropanoate.
What is the SMILES notation for 3-amino-3-cyclooctylpropanoate?
The canonical SMILES for 3-amino-3-cyclooctylpropanoate is NC(CC(=O)[O-])C1CCCCCCC1.
What is the InChIKey of 3-amino-3-cyclooctylpropanoate?
The InChIKey is CRQLSRXQXOSGQN-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H21NO2/c12-10(8-11(13)14)9-6-4-2-1-3-5-7-9/h9-10H,1-8,12H2,(H,13,14)/p-1.
What are the key properties of 3-amino-3-cyclooctylpropanoate?
3-amino-3-cyclooctylpropanoate has a molecular weight of 198.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclooctylpropanoate is sourced from PubChem (CID 22987137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).