(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid

C11H21NO3 — CID 86662569

IUPAC(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NOC1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)10(11(13)14)12-15-9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyCOKNHCJXBUEGBE-JTQLQIEISA-N
MW215.29 g/mol
LogP1.95
Rot. Bonds5

About (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid

(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid (PubChem CID 86662569) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid
PubChem CID86662569
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid
SMILESCC(C)[C@H](NOC1CCCCC1)C(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)10(11(13)14)12-15-9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyCOKNHCJXBUEGBE-JTQLQIEISA-N
XLogP1.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 2958090
(2S)-2-(cyclohexanecarbonylamino)-3-methylbutanoic acid
CID 972243
(2S)-2-(2-cyclohexyloxyethylcarbamoylamino)-3-methylbutanoic acid
CID 63834422
2-(cyclohexyloxyamino)propanoyl chloride;phosphoric acid
CID 174970335
2-acetamido-N-cyclopentyloxy-3-methylbutanamide
CID 83202845
N-cyclopentyloxy-2,3-dimethylbutanamide
CID 83202498
(2R)-2-(cyclohexylcarbamoylamino)-3-methylbutanoic acid
CID 2050014
2-(2-cyclopentylethylamino)-3-methylbutanoic acid
CID 103240062
cyclohexyl (4-methoxycarbonyloxycyclohexyl) carbonate
CID 23066096
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
dicyclononyl carbonate
CID 139618210
(2S)-2-[2-[(2-cyclohexylacetyl)amino]propanoylamino]-3-methylbutanoic acid
CID 119359472

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid?
The IUPAC name of (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid (CID 86662569) is (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid.
What is the SMILES notation for (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid?
The canonical SMILES for (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid is CC(C)[C@H](NOC1CCCCC1)C(=O)O.
What is the InChIKey of (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid?
The InChIKey is COKNHCJXBUEGBE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)10(11(13)14)12-15-9-6-4-3-5-7-9/h8-10,12H,3-7H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid?
(2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexyloxyamino)-3-methylbutanoic acid is sourced from PubChem (CID 86662569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).