2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid

C15H24N2O4 — CID 81155963

IUPAC2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)N2C3CCC2CC(O)C3)CCC1
InChIInChI=1S/C15H24N2O4/c18-12-6-10-2-3-11(7-12)17(10)14(21)16-9-15(4-1-5-15)8-13(19)20/h10-12,18H,1-9H2,(H,16,21)(H,19,20)
InChIKeyLYZJILFCWWMRAY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.33
Rot. Bonds4

About 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 81155963) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID81155963
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)N2C3CCC2CC(O)C3)CCC1
InChIInChI=1S/C15H24N2O4/c18-12-6-10-2-3-11(7-12)17(10)14(21)16-9-15(4-1-5-15)8-13(19)20/h10-12,18H,1-9H2,(H,16,21)(H,19,20)
InChIKeyLYZJILFCWWMRAY-UHFFFAOYSA-N
XLogP1.33
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451659
2-[1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81162804
2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81155971
2-[1-[(cycloheptanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164488
2-[1-[(cyclohexanecarbonylamino)methyl]cyclobutyl]acetic acid
CID 81164623
2-(1-aminocyclobutyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 79854491
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
2-[1-[[(2-cycloheptylacetyl)amino]methyl]cyclobutyl]acetic acid
CID 114457209
2-[1-[[(3-carbamoylpiperidine-1-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81148975
2-[1-[[[4-(methoxymethyl)piperidine-1-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81156098
2-[1-[(cyclohexylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164862
2-[1-[[(5-ethyl-2-methylmorpholine-4-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81156840

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 81155963) is 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)N2C3CCC2CC(O)C3)CCC1.
What is the InChIKey of 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is LYZJILFCWWMRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c18-12-6-10-2-3-11(7-12)17(10)14(21)16-9-15(4-1-5-15)8-13(19)20/h10-12,18H,1-9H2,(H,16,21)(H,19,20).
What are the key properties of 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 296.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81155963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).