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

C15H24N2O3 — CID 79607022

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H24N2O3/c18-14(17(9-15(19)20)8-10-1-2-10)7-11-5-12-3-4-13(6-11)16-12/h10-13,16H,1-9H2,(H,19,20)
InChIKeyFVFQBUUDUOALEP-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.23
Rot. Bonds6

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

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid (PubChem CID 79607022) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid
PubChem CID79607022
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C15H24N2O3/c18-14(17(9-15(19)20)8-10-1-2-10)7-11-5-12-3-4-13(6-11)16-12/h10-13,16H,1-9H2,(H,19,20)
InChIKeyFVFQBUUDUOALEP-UHFFFAOYSA-N
XLogP1.23
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79615177
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-(cyclopropylmethyl)-N-propylacetamide;hydrochloride
CID 119676711
2-(8-azabicyclo[3.2.1]octan-3-yl)-N,N-bis(cyanomethyl)acetamide
CID 79607579
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(cyclopentylmethyl)-N-methylacetamide;hydrochloride
CID 119759233
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(methylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119744167
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylacetamide
CID 79611059
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-N-phenylacetamide
CID 79607499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(dimethylamino)propyl]-N-methylacetamide
CID 79615612
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-[cyclopropylmethyl-[2-(2,2-dimethylpropanoylamino)acetyl]amino]acetic acid
CID 43655471

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid (CID 79607022) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is FVFQBUUDUOALEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(17(9-15(19)20)8-10-1-2-10)7-11-5-12-3-4-13(6-11)16-12/h10-13,16H,1-9H2,(H,19,20).
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.23, 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]-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 79607022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).