6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid

C9H13NO5 — CID 175820386

IUPAC6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
SMILESCC1C2C(O)CC2N(C(=O)O)C1C(=O)O
InChIInChI=1S/C9H13NO5/c1-3-6-4(2-5(6)11)10(9(14)15)7(3)8(12)13/h3-7,11H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyRZJJQXPECRPTPT-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.18
Rot. Bonds1

About 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid

6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid (PubChem CID 175820386) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
PubChem CID175820386
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid
SMILESCC1C2C(O)CC2N(C(=O)O)C1C(=O)O
InChIInChI=1S/C9H13NO5/c1-3-6-4(2-5(6)11)10(9(14)15)7(3)8(12)13/h3-7,11H,2H2,1H3,(H,12,13)(H,14,15)
InChIKeyRZJJQXPECRPTPT-UHFFFAOYSA-N
XLogP-0.18
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methylaziridine-1,2-dicarboxylic acid
CID 154457797
3-hydroxy-2-methylcyclopentane-1-carboxylic acid
CID 55301199
2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 18437279
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 146565043
(3S,6R)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
CID 162344035
(2S)-4-fluoro-3-methylpyrrolidine-1,2-dicarboxylic acid
CID 122439706
4-hydroxy-5-methylcyclohexane-1,2-dicarboxylic acid
CID 71027320
2,3-dihydroxycyclobutane-1-carboxylic acid
CID 174933453
(1S,3S,4R,6S)-6-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 146565067
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
1,4,5,6-tetramethylpiperidine-2-carboxylic acid
CID 22081068

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The IUPAC name of 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid (CID 175820386) is 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The canonical SMILES for 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid is CC1C2C(O)CC2N(C(=O)O)C1C(=O)O.
What is the InChIKey of 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
The InChIKey is RZJJQXPECRPTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-3-6-4(2-5(6)11)10(9(14)15)7(3)8(12)13/h3-7,11H,2H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid?
6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid has a molecular weight of 215.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-2-azabicyclo[3.2.0]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 175820386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).