(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid

C13H21NO2 — CID 167169033

IUPAC(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid
SMILESC[C@]12CC[C@@H]3C(CN)C(C(=O)O)[C@H](C1)[C@@H]3C2
InChIInChI=1S/C13H21NO2/c1-13-3-2-7-8(4-13)9(5-13)11(12(15)16)10(7)6-14/h7-11H,2-6,14H2,1H3,(H,15,16)/t7-,8+,9+,10?,11?,13+/m0/s1
InChIKeyAKQDLWGCULKSAA-CRICQTCMSA-N
MW223.32 g/mol
LogP1.72
Rot. Bonds2

About (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid

(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid (PubChem CID 167169033) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid.

Molecular Properties

Compound Name(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid
PubChem CID167169033
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid
SMILESC[C@]12CC[C@@H]3C(CN)C(C(=O)O)[C@H](C1)[C@@H]3C2
InChIInChI=1S/C13H21NO2/c1-13-3-2-7-8(4-13)9(5-13)11(12(15)16)10(7)6-14/h7-11H,2-6,14H2,1H3,(H,15,16)/t7-,8+,9+,10?,11?,13+/m0/s1
InChIKeyAKQDLWGCULKSAA-CRICQTCMSA-N
XLogP1.72
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid?
The IUPAC name of (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid (CID 167169033) is (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid.
What is the SMILES notation for (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid?
The canonical SMILES for (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid is C[C@]12CC[C@@H]3C(CN)C(C(=O)O)[C@H](C1)[C@@H]3C2.
What is the InChIKey of (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid?
The InChIKey is AKQDLWGCULKSAA-CRICQTCMSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13-3-2-7-8(4-13)9(5-13)11(12(15)16)10(7)6-14/h7-11H,2-6,14H2,1H3,(H,15,16)/t7-,8+,9+,10?,11?,13+/m0/s1.
What are the key properties of (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid?
(1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid has a molecular weight of 223.32 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S,7R,8R)-5-(aminomethyl)-1-methyltricyclo[5.2.1.04,8]decane-6-carboxylic acid is sourced from PubChem (CID 167169033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).