[(2S)-2-amino-1H-azet-2-yl]methanol

C4H8N2O — CID 67765927

IUPAC[(2S)-2-amino-1H-azet-2-yl]methanol
SMILESN[C@@]1(CO)C=CN1
InChIInChI=1S/C4H8N2O/c5-4(3-7)1-2-6-4/h1-2,6-7H,3,5H2/t4-/m0/s1
InChIKeyRTXKOGPUAJKDDU-BYPYZUCNSA-N
MW100.12 g/mol
LogP-1.25
Rot. Bonds1

About [(2S)-2-amino-1H-azet-2-yl]methanol

[(2S)-2-amino-1H-azet-2-yl]methanol (PubChem CID 67765927) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is [(2S)-2-amino-1H-azet-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-amino-1H-azet-2-yl]methanol
PubChem CID67765927
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name[(2S)-2-amino-1H-azet-2-yl]methanol
SMILESN[C@@]1(CO)C=CN1
InChIInChI=1S/C4H8N2O/c5-4(3-7)1-2-6-4/h1-2,6-7H,3,5H2/t4-/m0/s1
InChIKeyRTXKOGPUAJKDDU-BYPYZUCNSA-N
XLogP-1.25
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-amino-1H-azet-2-yl]methanol?
The IUPAC name of [(2S)-2-amino-1H-azet-2-yl]methanol (CID 67765927) is [(2S)-2-amino-1H-azet-2-yl]methanol.
What is the SMILES notation for [(2S)-2-amino-1H-azet-2-yl]methanol?
The canonical SMILES for [(2S)-2-amino-1H-azet-2-yl]methanol is N[C@@]1(CO)C=CN1.
What is the InChIKey of [(2S)-2-amino-1H-azet-2-yl]methanol?
The InChIKey is RTXKOGPUAJKDDU-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H8N2O/c5-4(3-7)1-2-6-4/h1-2,6-7H,3,5H2/t4-/m0/s1.
What are the key properties of [(2S)-2-amino-1H-azet-2-yl]methanol?
[(2S)-2-amino-1H-azet-2-yl]methanol has a molecular weight of 100.12 g/mol, XLogP of -1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-amino-1H-azet-2-yl]methanol is sourced from PubChem (CID 67765927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).