2-amino-3-phosphonooxybutanoic acid

C4H10NO6P — CID 1016

IUPAC2-amino-3-phosphonooxybutanoic acid
SMILESCC(OP(=O)(O)O)C(N)C(=O)O
InChIInChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyUSRGIUJOYOXOQJ-UHFFFAOYSA-N
MW199.10 g/mol
LogP-1.10
Rot. Bonds4

About 2-amino-3-phosphonooxybutanoic acid

2-amino-3-phosphonooxybutanoic acid (PubChem CID 1016) has the molecular formula C4H10NO6P and a molecular weight of 199.10 g/mol. Its IUPAC name is 2-amino-3-phosphonooxybutanoic acid.

Molecular Properties

Compound Name2-amino-3-phosphonooxybutanoic acid
PubChem CID1016
Molecular FormulaC4H10NO6P
Molecular Weight199.10 g/mol
Exact Mass199.02
IUPAC Name2-amino-3-phosphonooxybutanoic acid
SMILESCC(OP(=O)(O)O)C(N)C(=O)O
InChIInChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
InChIKeyUSRGIUJOYOXOQJ-UHFFFAOYSA-N
XLogP-1.10
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phosphonooxybutanoic acid?
The IUPAC name of 2-amino-3-phosphonooxybutanoic acid (CID 1016) is 2-amino-3-phosphonooxybutanoic acid.
What is the SMILES notation for 2-amino-3-phosphonooxybutanoic acid?
The canonical SMILES for 2-amino-3-phosphonooxybutanoic acid is CC(OP(=O)(O)O)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-phosphonooxybutanoic acid?
The InChIKey is USRGIUJOYOXOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10).
What are the key properties of 2-amino-3-phosphonooxybutanoic acid?
2-amino-3-phosphonooxybutanoic acid has a molecular weight of 199.10 g/mol, XLogP of -1.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phosphonooxybutanoic acid is sourced from PubChem (CID 1016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).