[(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium

C6H14NO2+ — CID 6994417

IUPAC[(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium
SMILESC=CCOC[C@@H](O)C[NH3+]
InChIInChI=1S/C6H13NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5,7H2/p+1/t6-/m0/s1
InChIKeyCBTJEAMLAOXIEA-LURJTMIESA-O
MW132.18 g/mol
LogP-1.21
Rot. Bonds5

About [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium

[(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium (PubChem CID 6994417) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium.

Molecular Properties

Compound Name[(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium
PubChem CID6994417
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name[(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium
SMILESC=CCOC[C@@H](O)C[NH3+]
InChIInChI=1S/C6H13NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5,7H2/p+1/t6-/m0/s1
InChIKeyCBTJEAMLAOXIEA-LURJTMIESA-O
XLogP-1.21
TPSA57.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium?
The IUPAC name of [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium (CID 6994417) is [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium.
What is the SMILES notation for [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium?
The canonical SMILES for [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium is C=CCOC[C@@H](O)C[NH3+].
What is the InChIKey of [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium?
The InChIKey is CBTJEAMLAOXIEA-LURJTMIESA-O. The full InChI is InChI=1S/C6H13NO2/c1-2-3-9-5-6(8)4-7/h2,6,8H,1,3-5,7H2/p+1/t6-/m0/s1.
What are the key properties of [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium?
[(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium has a molecular weight of 132.18 g/mol, XLogP of -1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-hydroxy-3-prop-2-enoxypropyl]azanium is sourced from PubChem (CID 6994417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).