4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid

C11H21NO3 — CID 70425259

IUPAC4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
SMILESCNC(CC1CCCCC1)C(O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-12-9(10(13)11(14)15)7-8-5-3-2-4-6-8/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyMEZBWGAURLYCHI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.99
Rot. Bonds5

About 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid

4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid (PubChem CID 70425259) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid.

Molecular Properties

Compound Name4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
PubChem CID70425259
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid
SMILESCNC(CC1CCCCC1)C(O)C(=O)O
InChIInChI=1S/C11H21NO3/c1-12-9(10(13)11(14)15)7-8-5-3-2-4-6-8/h8-10,12-13H,2-7H2,1H3,(H,14,15)
InChIKeyMEZBWGAURLYCHI-UHFFFAOYSA-N
XLogP0.99
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid?
The IUPAC name of 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid (CID 70425259) is 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid.
What is the SMILES notation for 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid?
The canonical SMILES for 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid is CNC(CC1CCCCC1)C(O)C(=O)O.
What is the InChIKey of 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid?
The InChIKey is MEZBWGAURLYCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-12-9(10(13)11(14)15)7-8-5-3-2-4-6-8/h8-10,12-13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid?
4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid has a molecular weight of 215.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-hydroxy-3-(methylamino)butanoic acid is sourced from PubChem (CID 70425259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).