(2S)-2-aminobutan-2-ol

C4H11NO — CID 92981933

IUPAC(2S)-2-aminobutan-2-ol
SMILESCC[C@@](C)(N)O
InChIInChI=1S/C4H11NO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyVKPHHYUEMRNFSX-BYPYZUCNSA-N
MW89.14 g/mol
LogP0.06
Rot. Bonds1

About (2S)-2-aminobutan-2-ol

(2S)-2-aminobutan-2-ol (PubChem CID 92981933) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is (2S)-2-aminobutan-2-ol.

Molecular Properties

Compound Name(2S)-2-aminobutan-2-ol
PubChem CID92981933
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name(2S)-2-aminobutan-2-ol
SMILESCC[C@@](C)(N)O
InChIInChI=1S/C4H11NO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3/t4-/m0/s1
InChIKeyVKPHHYUEMRNFSX-BYPYZUCNSA-N
XLogP0.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.14
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminobutan-2-ol?
The IUPAC name of (2S)-2-aminobutan-2-ol (CID 92981933) is (2S)-2-aminobutan-2-ol.
What is the SMILES notation for (2S)-2-aminobutan-2-ol?
The canonical SMILES for (2S)-2-aminobutan-2-ol is CC[C@@](C)(N)O.
What is the InChIKey of (2S)-2-aminobutan-2-ol?
The InChIKey is VKPHHYUEMRNFSX-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H11NO/c1-3-4(2,5)6/h6H,3,5H2,1-2H3/t4-/m0/s1.
What are the key properties of (2S)-2-aminobutan-2-ol?
(2S)-2-aminobutan-2-ol has a molecular weight of 89.14 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminobutan-2-ol is sourced from PubChem (CID 92981933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).