2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid

C13H22N2O2 — CID 65061467

IUPAC2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
SMILESCN1C2CCC1CC(NC(C(=O)O)C1CC1)C2
InChIInChI=1S/C13H22N2O2/c1-15-10-4-5-11(15)7-9(6-10)14-12(13(16)17)8-2-3-8/h8-12,14H,2-7H2,1H3,(H,16,17)
InChIKeyWDSPTAUBDPYGQS-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.06
Rot. Bonds4

About 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid

2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid (PubChem CID 65061467) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
PubChem CID65061467
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
SMILESCN1C2CCC1CC(NC(C(=O)O)C1CC1)C2
InChIInChI=1S/C13H22N2O2/c1-15-10-4-5-11(15)7-9(6-10)14-12(13(16)17)8-2-3-8/h8-12,14H,2-7H2,1H3,(H,16,17)
InChIKeyWDSPTAUBDPYGQS-UHFFFAOYSA-N
XLogP1.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid (CID 65061467) is 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid is CN1C2CCC1CC(NC(C(=O)O)C1CC1)C2.
What is the InChIKey of 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
The InChIKey is WDSPTAUBDPYGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-15-10-4-5-11(15)7-9(6-10)14-12(13(16)17)8-2-3-8/h8-12,14H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid?
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid has a molecular weight of 238.33 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid is sourced from PubChem (CID 65061467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).