3-aminopropanoylphosphonic acid

C3H8NO4P — CID 22644526

IUPAC3-aminopropanoylphosphonic acid
SMILESNCCC(=O)P(=O)(O)O
InChIInChI=1S/C3H8NO4P/c4-2-1-3(5)9(6,7)8/h1-2,4H2,(H2,6,7,8)
InChIKeyRZIXKNKUUUMSEH-UHFFFAOYSA-N
MW153.07 g/mol
LogP-0.96
Rot. Bonds3

About 3-aminopropanoylphosphonic acid

3-aminopropanoylphosphonic acid (PubChem CID 22644526) has the molecular formula C3H8NO4P and a molecular weight of 153.07 g/mol. Its IUPAC name is 3-aminopropanoylphosphonic acid.

Molecular Properties

Compound Name3-aminopropanoylphosphonic acid
PubChem CID22644526
Molecular FormulaC3H8NO4P
Molecular Weight153.07 g/mol
Exact Mass153.02
IUPAC Name3-aminopropanoylphosphonic acid
SMILESNCCC(=O)P(=O)(O)O
InChIInChI=1S/C3H8NO4P/c4-2-1-3(5)9(6,7)8/h1-2,4H2,(H2,6,7,8)
InChIKeyRZIXKNKUUUMSEH-UHFFFAOYSA-N
XLogP-0.96
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.07
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(18-oxo-18-phosphonooctadecanoyl)phosphonic acid
CID 19008747
CID 166603981
CID 166603981
(2,7-dioxo-7-phosphonoheptanoyl)phosphonic acid
CID 123379596
lithium;methanol;4-oxo-4-phosphonobutanoate
CID 175025101
[3-aminopropanoyl(phosphonomethyl)amino]methylphosphonic acid
CID 140554532
4-aminobutanoic acid;4-aminobutanoylphosphonic acid;(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid;bis(dihydroxy(oxo)phosphanium)
CID 157308099
ethane-1,2-diamine;hydrogen phosphate;platinum(2+)
CID 175317536
ethane-1,2-diamine;methylphosphonic acid
CID 19349473
3-(15N)azanyl(113C)propanoic acid
CID 11366951
3-aminopropanoyl fluoride
CID 141326128
3-aminopropanoyl chloride
CID 11217318
2-aminoethanol;phosphoric acid;zinc
CID 126749483

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanoylphosphonic acid?
The IUPAC name of 3-aminopropanoylphosphonic acid (CID 22644526) is 3-aminopropanoylphosphonic acid.
What is the SMILES notation for 3-aminopropanoylphosphonic acid?
The canonical SMILES for 3-aminopropanoylphosphonic acid is NCCC(=O)P(=O)(O)O.
What is the InChIKey of 3-aminopropanoylphosphonic acid?
The InChIKey is RZIXKNKUUUMSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO4P/c4-2-1-3(5)9(6,7)8/h1-2,4H2,(H2,6,7,8).
What are the key properties of 3-aminopropanoylphosphonic acid?
3-aminopropanoylphosphonic acid has a molecular weight of 153.07 g/mol, XLogP of -0.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanoylphosphonic acid is sourced from PubChem (CID 22644526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).