3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid

C7H11NO2 — CID 118692720

IUPAC3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCNC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C7H11NO2/c1-8-7-2-6(3-7,4-7)5(9)10/h8H,2-4H2,1H3,(H,9,10)
InChIKeyWWYMNUBIABKSTN-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds2

About 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid

3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid (PubChem CID 118692720) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
PubChem CID118692720
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid
SMILESCNC12CC(C(=O)O)(C1)C2
InChIInChI=1S/C7H11NO2/c1-8-7-2-6(3-7,4-7)5(9)10/h8H,2-4H2,1H3,(H,9,10)
InChIKeyWWYMNUBIABKSTN-UHFFFAOYSA-N
XLogP0.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
The IUPAC name of 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid (CID 118692720) is 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid.
What is the SMILES notation for 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
The canonical SMILES for 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid is CNC12CC(C(=O)O)(C1)C2.
What is the InChIKey of 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
The InChIKey is WWYMNUBIABKSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-7-2-6(3-7,4-7)5(9)10/h8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid?
3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid has a molecular weight of 141.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)bicyclo[1.1.1]pentane-1-carboxylic acid is sourced from PubChem (CID 118692720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).