2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

C13H19NO2 — CID 134356007

IUPAC2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESC=C1C2CCC3C1C(C2)C3(CN)CC(=O)O
InChIInChI=1S/C13H19NO2/c1-7-8-2-3-9-12(7)10(4-8)13(9,6-14)5-11(15)16/h8-10,12H,1-6,14H2,(H,15,16)
InChIKeyGIZWXLQQVMEYPY-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.64
Rot. Bonds3

About 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid

2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (PubChem CID 134356007) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
PubChem CID134356007
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
SMILESC=C1C2CCC3C1C(C2)C3(CN)CC(=O)O
InChIInChI=1S/C13H19NO2/c1-7-8-2-3-9-12(7)10(4-8)13(9,6-14)5-11(15)16/h8-10,12H,1-6,14H2,(H,15,16)
InChIKeyGIZWXLQQVMEYPY-UHFFFAOYSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(1S,2R,3R,7S,10R)-2-(aminomethyl)-7-ethenyl-2-tricyclo[4.3.1.03,10]dec-5-enyl]acetic acid
CID 142304137
2-[2-(aminomethyl)-7-ethenyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355868
2-[(1R,2S,3S,10S)-2-(aminomethyl)-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 146300472
2-[2-(aminomethyl)-7-ethyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355878
2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid
CID 19361927
2-[(1R,2R,3S,6S,7S,8R)-2-(aminomethyl)-7-(trifluoromethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355840
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-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355854
2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355859
2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
CID 134356016
2-[2-(aminomethyl)-6-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355861
2-[(1R,2R,3S,7S,9R)-2-(aminomethyl)-9-methyl-2-tricyclo[5.2.1.03,9]decanyl]acetic acid
CID 167169007

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid (CID 134356007) is 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is C=C1C2CCC3C1C(C2)C3(CN)CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
The InChIKey is GIZWXLQQVMEYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-7-8-2-3-9-12(7)10(4-8)13(9,6-14)5-11(15)16/h8-10,12H,1-6,14H2,(H,15,16).
What are the key properties of 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid?
2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid has a molecular weight of 221.30 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-7-methylidene-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid is sourced from PubChem (CID 134356007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).