[(3S)-3-amino-4-hydroxybutyl]phosphonic acid

C4H12NO4P — CID 89155767

IUPAC[(3S)-3-amino-4-hydroxybutyl]phosphonic acid
SMILESN[C@H](CO)CCP(=O)(O)O
InChIInChI=1S/C4H12NO4P/c5-4(3-6)1-2-10(7,8)9/h4,6H,1-3,5H2,(H2,7,8,9)/t4-/m0/s1
InChIKeyYLJYJSXEVDOWRB-BYPYZUCNSA-N
MW169.12 g/mol
LogP-1.13
Rot. Bonds4

About [(3S)-3-amino-4-hydroxybutyl]phosphonic acid

[(3S)-3-amino-4-hydroxybutyl]phosphonic acid (PubChem CID 89155767) has the molecular formula C4H12NO4P and a molecular weight of 169.12 g/mol. Its IUPAC name is [(3S)-3-amino-4-hydroxybutyl]phosphonic acid.

Molecular Properties

Compound Name[(3S)-3-amino-4-hydroxybutyl]phosphonic acid
PubChem CID89155767
Molecular FormulaC4H12NO4P
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Name[(3S)-3-amino-4-hydroxybutyl]phosphonic acid
SMILESN[C@H](CO)CCP(=O)(O)O
InChIInChI=1S/C4H12NO4P/c5-4(3-6)1-2-10(7,8)9/h4,6H,1-3,5H2,(H2,7,8,9)/t4-/m0/s1
InChIKeyYLJYJSXEVDOWRB-BYPYZUCNSA-N
XLogP-1.13
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-1.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-amino-4-sulfanylbutyl)phosphonic acid
CID 10352382
(3-amino-3-hydroxypropyl)phosphonic acid
CID 57001099
3-aminoheptadecylphosphonic acid
CID 10125861
(3-amino-4-hydroxy-1-phosphonobutyl)phosphonic acid
CID 18757017
[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
CID 174557406
2-amino-4-phosphonobutanoate
CID 22605174
4-amino-5-hydroxypentanoic acid
CID 162240530
3,3-dichloropropylphosphonic acid
CID 91996618
(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
(2S)-2-aminobutane-1,4-diol;hydrochloride
CID 91654406
[(3R)-3-amino-4-ethoxy-4-oxobutyl]phosphonic acid
CID 95731877
(2S)-2-amino-4-fluorobutan-1-ol
CID 96551535

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-amino-4-hydroxybutyl]phosphonic acid?
The IUPAC name of [(3S)-3-amino-4-hydroxybutyl]phosphonic acid (CID 89155767) is [(3S)-3-amino-4-hydroxybutyl]phosphonic acid.
What is the SMILES notation for [(3S)-3-amino-4-hydroxybutyl]phosphonic acid?
The canonical SMILES for [(3S)-3-amino-4-hydroxybutyl]phosphonic acid is N[C@H](CO)CCP(=O)(O)O.
What is the InChIKey of [(3S)-3-amino-4-hydroxybutyl]phosphonic acid?
The InChIKey is YLJYJSXEVDOWRB-BYPYZUCNSA-N. The full InChI is InChI=1S/C4H12NO4P/c5-4(3-6)1-2-10(7,8)9/h4,6H,1-3,5H2,(H2,7,8,9)/t4-/m0/s1.
What are the key properties of [(3S)-3-amino-4-hydroxybutyl]phosphonic acid?
[(3S)-3-amino-4-hydroxybutyl]phosphonic acid has a molecular weight of 169.12 g/mol, XLogP of -1.13, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-amino-4-hydroxybutyl]phosphonic acid is sourced from PubChem (CID 89155767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).