(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid

C8H13NO2 — CID 163490746

IUPAC(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCN1C[C@@H]2CC[C@@H]2[C@H]1C(=O)O
InChIInChI=1S/C8H13NO2/c1-9-4-5-2-3-6(5)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6-,7-/m0/s1
InChIKeyKMEDJJPTNKZDMY-ACZMJKKPSA-N
MW155.20 g/mol
LogP0.41
Rot. Bonds1

About (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid

(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 163490746) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID163490746
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCN1C[C@@H]2CC[C@@H]2[C@H]1C(=O)O
InChIInChI=1S/C8H13NO2/c1-9-4-5-2-3-6(5)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6-,7-/m0/s1
InChIKeyKMEDJJPTNKZDMY-ACZMJKKPSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-1-carboxylic acid
CID 91609555
(3S,3aS,6aR)-2-acetyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 141323765
2-methyl-2-azabicyclo[2.2.2]octane-5-carboxylic acid
CID 84653507
2-(6-hydroxyhexyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 107704686
(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
CID 170258058
2-(1-cyclopropylethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895835
2-(3-methylcyclobutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 103565256
2-(4-methoxybutanoyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102891612
4-cyclobutyl-1-methylpyrrolidine-2-carboxylic acid
CID 105440635
(3S,4aS,8aS)-2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxylic acid
CID 5288070
2-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 106020939
2-methyl-2-azabicyclo[2.1.1]hexane-5-carboxylic acid
CID 130916638

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid (CID 163490746) is (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid is CN1C[C@@H]2CC[C@@H]2[C@H]1C(=O)O.
What is the InChIKey of (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is KMEDJJPTNKZDMY-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H13NO2/c1-9-4-5-2-3-6(5)7(9)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6-,7-/m0/s1.
What are the key properties of (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
(1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-3-methyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 163490746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).