2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid

C15H26N2O3 — CID 79615177

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H26N2O3/c1-10(2)8-17(9-15(19)20)14(18)7-11-5-12-3-4-13(6-11)16-12/h10-13,16H,3-9H2,1-2H3,(H,19,20)
InChIKeyZWJVLHGDDVFSBP-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.48
Rot. Bonds6

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

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 79615177) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
PubChem CID79615177
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H26N2O3/c1-10(2)8-17(9-15(19)20)14(18)7-11-5-12-3-4-13(6-11)16-12/h10-13,16H,3-9H2,1-2H3,(H,19,20)
InChIKeyZWJVLHGDDVFSBP-UHFFFAOYSA-N
XLogP1.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid with MolForge

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid
CID 79607022
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-methylamino]acetic acid
CID 79607520
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729654
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103188749
2-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-bis(cyanomethyl)acetamide
CID 79607579
2-cyclopentyl-N,N-bis(2-methylpropyl)acetamide
CID 78797313
3-[carboxymethyl-(2-cyclohexylacetyl)amino]-2-methylpropanoic acid
CID 82326124
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopropylmethyl)-N-propylacetamide;hydrochloride
CID 119676711
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 79607861
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
CID 119763862
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744167

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid (CID 79615177) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is ZWJVLHGDDVFSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-10(2)8-17(9-15(19)20)14(18)7-11-5-12-3-4-13(6-11)16-12/h10-13,16H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 282.38 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 79615177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).