3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol

C5H13N2OP — CID 59469098

IUPAC3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol
SMILESC[C@H](N)C1(O)CN(P)C1
InChIInChI=1S/C5H13N2OP/c1-4(6)5(8)2-7(9)3-5/h4,8H,2-3,6,9H2,1H3/t4-/m0/s1
InChIKeyFYPJMUBNQKHUPW-BYPYZUCNSA-N
MW148.15 g/mol
LogP-0.83
Rot. Bonds1

About 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol

3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol (PubChem CID 59469098) has the molecular formula C5H13N2OP and a molecular weight of 148.15 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol
PubChem CID59469098
Molecular FormulaC5H13N2OP
Molecular Weight148.15 g/mol
Exact Mass148.08
IUPAC Name3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol
SMILESC[C@H](N)C1(O)CN(P)C1
InChIInChI=1S/C5H13N2OP/c1-4(6)5(8)2-7(9)3-5/h4,8H,2-3,6,9H2,1H3/t4-/m0/s1
InChIKeyFYPJMUBNQKHUPW-BYPYZUCNSA-N
XLogP-0.83
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol?
The IUPAC name of 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol (CID 59469098) is 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol is C[C@H](N)C1(O)CN(P)C1.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol?
The InChIKey is FYPJMUBNQKHUPW-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H13N2OP/c1-4(6)5(8)2-7(9)3-5/h4,8H,2-3,6,9H2,1H3/t4-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol?
3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol has a molecular weight of 148.15 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-1-phosphanylazetidin-3-ol is sourced from PubChem (CID 59469098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).