2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid

C16H27NO2 — CID 134356016

IUPAC2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
SMILESCC(C)C12CCCC3C1C(CC2)C3(CN)CC(=O)O
InChIInChI=1S/C16H27NO2/c1-10(2)15-6-3-4-11-14(15)12(5-7-15)16(11,9-17)8-13(18)19/h10-12,14H,3-9,17H2,1-2H3,(H,18,19)
InChIKeyXMORXGBUTZCYHL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.89
Rot. Bonds4

About 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid

2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid (PubChem CID 134356016) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
PubChem CID134356016
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid
SMILESCC(C)C12CCCC3C1C(CC2)C3(CN)CC(=O)O
InChIInChI=1S/C16H27NO2/c1-10(2)15-6-3-4-11-14(15)12(5-7-15)16(11,9-17)8-13(18)19/h10-12,14H,3-9,17H2,1-2H3,(H,18,19)
InChIKeyXMORXGBUTZCYHL-UHFFFAOYSA-N
XLogP2.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.89
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,3S,7R,8S)-7-(aminomethyl)-3,8-dimethylspiro[bicyclo[4.2.0]octane-2,1'-cyclopropane]-7-yl]acetic acid
CID 149119324
2-[11-(aminomethyl)-11-bicyclo[4.4.1]undecanyl]acetic acid
CID 19361927
2-[2-(aminomethyl)-6-fluoro-7-methyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355861
2-[2-(aminomethyl)-6-fluoro-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355859
2-[2-(aminomethyl)-7-(1-fluoroethyl)-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355854
2-[2-(aminomethyl)-7-ethyl-2-tricyclo[4.2.1.03,8]nonanyl]acetic acid
CID 134355878
2-[1-(1-aminoethyl)-4-propan-2-ylcycloheptyl]acetic acid
CID 66096455
2-[1-(aminomethyl)-2,2,6-trimethylcyclohexyl]acetic acid
CID 83909857
2-[(1R,2R,5R)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 68530353
2-[2-(1-aminoethyl)-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 130526334
2-[(1S,2S,5S)-2-(aminomethyl)-6,6-dimethyl-2-bicyclo[3.1.0]hexanyl]acetic acid
CID 68534251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
The IUPAC name of 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid (CID 134356016) is 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
The canonical SMILES for 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid is CC(C)C12CCCC3C1C(CC2)C3(CN)CC(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
The InChIKey is XMORXGBUTZCYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-10(2)15-6-3-4-11-14(15)12(5-7-15)16(11,9-17)8-13(18)19/h10-12,14H,3-9,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid?
2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid has a molecular weight of 265.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-propan-2-yl-2-tricyclo[4.3.1.03,10]decanyl]acetic acid is sourced from PubChem (CID 134356016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).