(2S)-3-aminobutan-2-ol

C4H11NO — CID 90804830

IUPAC(2S)-3-aminobutan-2-ol
SMILESCC(N)[C@H](C)O
InChIInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/t3?,4-/m0/s1
InChIKeyFERWBXLFSBWTDE-BKLSDQPFSA-N
MW89.14 g/mol
LogP-0.29
Rot. Bonds1

About (2S)-3-aminobutan-2-ol

(2S)-3-aminobutan-2-ol (PubChem CID 90804830) has the molecular formula C4H11NO and a molecular weight of 89.14 g/mol. Its IUPAC name is (2S)-3-aminobutan-2-ol.

Molecular Properties

Compound Name(2S)-3-aminobutan-2-ol
PubChem CID90804830
Molecular FormulaC4H11NO
Molecular Weight89.14 g/mol
Exact Mass89.08
IUPAC Name(2S)-3-aminobutan-2-ol
SMILESCC(N)[C@H](C)O
InChIInChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/t3?,4-/m0/s1
InChIKeyFERWBXLFSBWTDE-BKLSDQPFSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-aminobutan-2-ol?
The IUPAC name of (2S)-3-aminobutan-2-ol (CID 90804830) is (2S)-3-aminobutan-2-ol.
What is the SMILES notation for (2S)-3-aminobutan-2-ol?
The canonical SMILES for (2S)-3-aminobutan-2-ol is CC(N)[C@H](C)O.
What is the InChIKey of (2S)-3-aminobutan-2-ol?
The InChIKey is FERWBXLFSBWTDE-BKLSDQPFSA-N. The full InChI is InChI=1S/C4H11NO/c1-3(5)4(2)6/h3-4,6H,5H2,1-2H3/t3?,4-/m0/s1.
What are the key properties of (2S)-3-aminobutan-2-ol?
(2S)-3-aminobutan-2-ol has a molecular weight of 89.14 g/mol, XLogP of -0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-aminobutan-2-ol is sourced from PubChem (CID 90804830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).