(2S,3S)-3-(methylamino)butan-2-ol

C5H13NO — CID 55287168

IUPAC(2S,3S)-3-(methylamino)butan-2-ol
SMILESCN[C@@H](C)[C@H](C)O
InChIInChI=1S/C5H13NO/c1-4(6-3)5(2)7/h4-7H,1-3H3/t4-,5-/m0/s1
InChIKeyZRHCPNAOHVNUKM-WHFBIAKZSA-N
MW103.17 g/mol
LogP-0.02
Rot. Bonds2

About (2S,3S)-3-(methylamino)butan-2-ol

(2S,3S)-3-(methylamino)butan-2-ol (PubChem CID 55287168) has the molecular formula C5H13NO and a molecular weight of 103.17 g/mol. Its IUPAC name is (2S,3S)-3-(methylamino)butan-2-ol.

Molecular Properties

Compound Name(2S,3S)-3-(methylamino)butan-2-ol
PubChem CID55287168
Molecular FormulaC5H13NO
Molecular Weight103.17 g/mol
Exact Mass103.10
IUPAC Name(2S,3S)-3-(methylamino)butan-2-ol
SMILESCN[C@@H](C)[C@H](C)O
InChIInChI=1S/C5H13NO/c1-4(6-3)5(2)7/h4-7H,1-3H3/t4-,5-/m0/s1
InChIKeyZRHCPNAOHVNUKM-WHFBIAKZSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(methylamino)butan-2-ol?
The IUPAC name of (2S,3S)-3-(methylamino)butan-2-ol (CID 55287168) is (2S,3S)-3-(methylamino)butan-2-ol.
What is the SMILES notation for (2S,3S)-3-(methylamino)butan-2-ol?
The canonical SMILES for (2S,3S)-3-(methylamino)butan-2-ol is CN[C@@H](C)[C@H](C)O.
What is the InChIKey of (2S,3S)-3-(methylamino)butan-2-ol?
The InChIKey is ZRHCPNAOHVNUKM-WHFBIAKZSA-N. The full InChI is InChI=1S/C5H13NO/c1-4(6-3)5(2)7/h4-7H,1-3H3/t4-,5-/m0/s1.
What are the key properties of (2S,3S)-3-(methylamino)butan-2-ol?
(2S,3S)-3-(methylamino)butan-2-ol has a molecular weight of 103.17 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(methylamino)butan-2-ol is sourced from PubChem (CID 55287168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).