(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid

C11H17NO2 — CID 98107604

IUPAC(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C11H17NO2/c12-11(10(13)14)5-6-4-9(11)8-3-1-2-7(6)8/h6-9H,1-5,12H2,(H,13,14)/t6-,7-,8+,9-,11+/m1/s1
InChIKeyUWCNBSOSTMTRND-DZEUPHNYSA-N
MW195.26 g/mol
LogP1.22
Rot. Bonds1

About (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid

(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid (PubChem CID 98107604) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
PubChem CID98107604
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21
InChIInChI=1S/C11H17NO2/c12-11(10(13)14)5-6-4-9(11)8-3-1-2-7(6)8/h6-9H,1-5,12H2,(H,13,14)/t6-,7-,8+,9-,11+/m1/s1
InChIKeyUWCNBSOSTMTRND-DZEUPHNYSA-N
XLogP1.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid with MolForge

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Related Compounds

(1R,2R,6S)-2-aminobicyclo[4.1.0]heptane-2-carboxylic acid
CID 124709963
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
2-amino-1-[3-(hydroxyamino)propyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
CID 153378475
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
9-aminobicyclo[3.3.1]nonane-9-carboxylic acid
CID 4866632
(8-iodo-8-tricyclo[5.2.1.02,6]decanyl) 2-methylprop-2-enoate
CID 66596120
(1'R,2'S,6'S)-spiro[1,3-dioxolane-2,8'-tricyclo[5.2.1.02,6]decane]
CID 21116154
(1S)-1-amino-2-hydroxycyclohexane-1-carboxylic acid
CID 15813568
8-(1-amino-2-methylpropan-2-yl)tricyclo[5.2.1.02,6]decan-8-ol
CID 79128848
2,2-dimethyl-3-oxo-3-[(8-propan-2-yl-8-tricyclo[5.2.1.02,6]decanyl)oxy]propanoic acid
CID 170442949
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823
8-ethyltricyclo[5.2.1.02,6]decane-8-carbaldehyde
CID 54499262

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The IUPAC name of (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid (CID 98107604) is (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid.
What is the SMILES notation for (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The canonical SMILES for (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid is N[C@@]1(C(=O)O)C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21.
What is the InChIKey of (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid?
The InChIKey is UWCNBSOSTMTRND-DZEUPHNYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-11(10(13)14)5-6-4-9(11)8-3-1-2-7(6)8/h6-9H,1-5,12H2,(H,13,14)/t6-,7-,8+,9-,11+/m1/s1.
What are the key properties of (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid?
(1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid has a molecular weight of 195.26 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7R,8S)-8-aminotricyclo[5.2.1.02,6]decane-8-carboxylic acid is sourced from PubChem (CID 98107604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).