2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid

C13H23NO2 — CID 117067501

IUPAC2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESCNC1(CC(=O)O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C13H23NO2/c1-11(2)9-5-6-12(3,7-9)13(11,14-4)8-10(15)16/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZUZNCNPVRISEEV-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.27
Rot. Bonds3

About 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid

2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid (PubChem CID 117067501) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid.

Molecular Properties

Compound Name2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid
PubChem CID117067501
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid
SMILESCNC1(CC(=O)O)C2(C)CCC(C2)C1(C)C
InChIInChI=1S/C13H23NO2/c1-11(2)9-5-6-12(3,7-9)13(11,14-4)8-10(15)16/h9,14H,5-8H2,1-4H3,(H,15,16)
InChIKeyZUZNCNPVRISEEV-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-2-norbornanecarboxylic acid
CID 550836
cis-endo-3-Aminobicyclo(2.2.1)heptane-2-carboxylic acid monohydrate
CID 69061735
(1S,2S,3R,4R)-3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 11863523
rac-(1R,2R,3R,4S)-3-aminobicyclo(2.2.1)heptane-2-carboxylic acid
CID 42580088
2-Amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid hydrochloride
CID 137964365
(1S,2R,3S,4R)-3-Aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 11446466
(2S,3R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 16211109
6-Amino-1,7,7trimethylbicyclo[2.2.1]heptan-2-carboxylic acid
CID 129881865
3-(3,3,3-Trifluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 64567143
2-Amino-7,7-dimethylbicyclo[2.2.1]heptane-1-carboxylic acid
CID 76221296
3-(2-Fluoroethylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80695606
3-(3-Fluoropropylamino)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 81114598

Frequently Asked Questions

What is the IUPAC name of 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The IUPAC name of 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid (CID 117067501) is 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid.
What is the SMILES notation for 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The canonical SMILES for 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid is CNC1(CC(=O)O)C2(C)CCC(C2)C1(C)C.
What is the InChIKey of 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid?
The InChIKey is ZUZNCNPVRISEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-11(2)9-5-6-12(3,7-9)13(11,14-4)8-10(15)16/h9,14H,5-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid?
2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid has a molecular weight of 225.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3,3-trimethyl-2-(methylamino)-2-bicyclo[2.2.1]heptanyl]acetic acid is sourced from PubChem (CID 117067501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).