(3-amino-3-hydroxypropyl)phosphonic acid

C3H10NO4P — CID 57001099

IUPAC(3-amino-3-hydroxypropyl)phosphonic acid
SMILESNC(O)CCP(=O)(O)O
InChIInChI=1S/C3H10NO4P/c4-3(5)1-2-9(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)
InChIKeyKLJRDIJYKDTBLX-UHFFFAOYSA-N
MW155.09 g/mol
LogP-1.17
Rot. Bonds3

About (3-amino-3-hydroxypropyl)phosphonic acid

(3-amino-3-hydroxypropyl)phosphonic acid (PubChem CID 57001099) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is (3-amino-3-hydroxypropyl)phosphonic acid.

Molecular Properties

Compound Name(3-amino-3-hydroxypropyl)phosphonic acid
PubChem CID57001099
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Name(3-amino-3-hydroxypropyl)phosphonic acid
SMILESNC(O)CCP(=O)(O)O
InChIInChI=1S/C3H10NO4P/c4-3(5)1-2-9(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)
InChIKeyKLJRDIJYKDTBLX-UHFFFAOYSA-N
XLogP-1.17
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(4-amino-4-hydroxy-1-phosphonobutyl)phosphonic acid
CID 57297515
[(3S)-3-amino-4-hydroxybutyl]phosphonic acid
CID 89155767
[(3R)-3,4-diamino-4-oxobutyl]phosphonic acid
CID 174557406
(3-amino-4-sulfanylbutyl)phosphonic acid
CID 10352382
2-amino-4-phosphonobutanoate
CID 22605174
3,3-dichloropropylphosphonic acid
CID 91996618
(1-amino-4-phosphonobutyl)phosphonic acid
CID 11075308
(3-hydroxy-4-oxobutyl)phosphonic acid
CID 3016813
3-aminoheptadecylphosphonic acid
CID 10125861
[(3R)-3-amino-4-ethoxy-4-oxobutyl]phosphonic acid
CID 95731877
2-hydroxy-4-phosphonobutanoic acid;methanol
CID 175009801
[amino(phosphono)methyl]-trihydroxyphosphanium
CID 89151684

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-hydroxypropyl)phosphonic acid?
The IUPAC name of (3-amino-3-hydroxypropyl)phosphonic acid (CID 57001099) is (3-amino-3-hydroxypropyl)phosphonic acid.
What is the SMILES notation for (3-amino-3-hydroxypropyl)phosphonic acid?
The canonical SMILES for (3-amino-3-hydroxypropyl)phosphonic acid is NC(O)CCP(=O)(O)O.
What is the InChIKey of (3-amino-3-hydroxypropyl)phosphonic acid?
The InChIKey is KLJRDIJYKDTBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO4P/c4-3(5)1-2-9(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8).
What are the key properties of (3-amino-3-hydroxypropyl)phosphonic acid?
(3-amino-3-hydroxypropyl)phosphonic acid has a molecular weight of 155.09 g/mol, XLogP of -1.17, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-hydroxypropyl)phosphonic acid is sourced from PubChem (CID 57001099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).