2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid

C14H24N2O3 — CID 82042880

IUPAC2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid
SMILESCC1(C)CC2CC(C)(CN2CC(=O)NCC(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-13(2)4-10-5-14(3,8-13)9-16(10)7-11(17)15-6-12(18)19/h10H,4-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQLEFZTPMCMLTDC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.09
Rot. Bonds4

About 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid

2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid (PubChem CID 82042880) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid
PubChem CID82042880
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid
SMILESCC1(C)CC2CC(C)(CN2CC(=O)NCC(=O)O)C1
InChIInChI=1S/C14H24N2O3/c1-13(2)4-10-5-14(3,8-13)9-16(10)7-11(17)15-6-12(18)19/h10H,4-9H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyQLEFZTPMCMLTDC-UHFFFAOYSA-N
XLogP1.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid (CID 82042880) is 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid is CC1(C)CC2CC(C)(CN2CC(=O)NCC(=O)O)C1.
What is the InChIKey of 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid?
The InChIKey is QLEFZTPMCMLTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-13(2)4-10-5-14(3,8-13)9-16(10)7-11(17)15-6-12(18)19/h10H,4-9H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid?
2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid has a molecular weight of 268.36 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 82042880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).