2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid

C14H25NO2 — CID 19361927

IUPAC2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid
SMILESNCC1(CC(=O)O)C2CCCCC1CCCC2
InChIInChI=1S/C14H25NO2/c15-10-14(9-13(16)17)11-5-1-2-6-12(14)8-4-3-7-11/h11-12H,1-10,15H2,(H,16,17)
InChIKeyJHTQKYFMBLXAOV-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.79
Rot. Bonds3

About 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid

2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid (PubChem CID 19361927) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid.

Molecular Properties

Compound Name2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid
PubChem CID19361927
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid
SMILESNCC1(CC(=O)O)C2CCCCC1CCCC2
InChIInChI=1S/C14H25NO2/c15-10-14(9-13(16)17)11-5-1-2-6-12(14)8-4-3-7-11/h11-12H,1-10,15H2,(H,16,17)
InChIKeyJHTQKYFMBLXAOV-UHFFFAOYSA-N
XLogP2.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 146300472
2-[(1R,2R,3S,7S,9R)-2-(aminomethyl)-9-methyl-2-tricyclo[5.2.1.03,9]decanyl]acetic acid
CID 167169007
2-[(6S,7R)-7-(aminomethyl)-7-bicyclo[4.2.0]octanyl]acetic acid
CID 142181198
2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 134356016
2-[(1S,7S,8S)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10242263
2-[(1S,7S,8R)-8-(aminomethyl)-8-bicyclo[5.2.0]nonanyl]acetic acid
CID 10036063
2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355859
2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134356007
2-(1,2-diaminocyclohexyl)acetic acid;hydrate
CID 70410023
2-[2-(aminomethyl)-7-ethyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355878
2-[(1R,3S,7R,8S)-7-(aminomethyl)-3,8-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopropane]-7-yl]acetic acid
CID 149119324
2-[(1R,2R,3S,6S,7S,8R)-2-(aminomethyl)-7-(trifluoromethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355840

Frequently Asked Questions

What is the IUPAC name of 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid?
The IUPAC name of 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid (CID 19361927) is 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid.
What is the SMILES notation for 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid?
The canonical SMILES for 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid is NCC1(CC(=O)O)C2CCCCC1CCCC2.
What is the InChIKey of 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid?
The InChIKey is JHTQKYFMBLXAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c15-10-14(9-13(16)17)11-5-1-2-6-12(14)8-4-3-7-11/h11-12H,1-10,15H2,(H,16,17).
What are the key properties of 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid?
2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid has a molecular weight of 239.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid is sourced from PubChem (CID 19361927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).