2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid

C9H15NO2 — CID 130693565

IUPAC2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid
SMILESCC(C(=O)O)N1CC2CCCC21
InChIInChI=1S/C9H15NO2/c1-6(9(11)12)10-5-7-3-2-4-8(7)10/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyLCNQBCDGJQTPGT-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.94
Rot. Bonds2

About 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid

2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid (PubChem CID 130693565) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid
PubChem CID130693565
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid
SMILESCC(C(=O)O)N1CC2CCCC21
InChIInChI=1S/C9H15NO2/c1-6(9(11)12)10-5-7-3-2-4-8(7)10/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyLCNQBCDGJQTPGT-UHFFFAOYSA-N
XLogP0.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]propanoic acid
CID 131057852
8-propan-2-yl-8-azabicyclo[5.2.0]nonane
CID 166687611
2-(2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl)butanoic acid
CID 121204472
8-(1-iodoethyl)-8-azabicyclo[5.2.0]nonane
CID 166695983
7-(1-cyclopropylethyl)-7-azabicyclo[4.2.0]octane
CID 130694462
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylbutanoic acid
CID 79406675
2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
CID 130734923
2-[1-(2-hydroxycyclopentyl)azetidin-3-yl]propanoic acid
CID 116684067
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propanamide
CID 82750365
1-(1-carboxyethyl)pyrrolidine-2-carboxylic acid
CID 110185971
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanoic acid
CID 66210280
2-[1-(methylamino)-1-oxopropan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895396

Frequently Asked Questions

What is the IUPAC name of 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid?
The IUPAC name of 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid (CID 130693565) is 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid.
What is the SMILES notation for 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid?
The canonical SMILES for 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid is CC(C(=O)O)N1CC2CCCC21.
What is the InChIKey of 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid?
The InChIKey is LCNQBCDGJQTPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6(9(11)12)10-5-7-3-2-4-8(7)10/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid?
2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid has a molecular weight of 169.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid is sourced from PubChem (CID 130693565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).