[(3R)-3-amino-2-oxobutyl]phosphonous acid

C4H10NO3P — CID 91929119

IUPAC[(3R)-3-amino-2-oxobutyl]phosphonous acid
SMILESC[C@@H](N)C(=O)CP(O)O
InChIInChI=1S/C4H10NO3P/c1-3(5)4(6)2-9(7)8/h3,7-8H,2,5H2,1H3/t3-/m1/s1
InChIKeyXQAPJBHUTRNMFE-GSVOUGTGSA-N
MW151.10 g/mol
LogP-0.80
Rot. Bonds3

About [(3R)-3-amino-2-oxobutyl]phosphonous acid

[(3R)-3-amino-2-oxobutyl]phosphonous acid (PubChem CID 91929119) has the molecular formula C4H10NO3P and a molecular weight of 151.10 g/mol. Its IUPAC name is [(3R)-3-amino-2-oxobutyl]phosphonous acid.

Molecular Properties

Compound Name[(3R)-3-amino-2-oxobutyl]phosphonous acid
PubChem CID91929119
Molecular FormulaC4H10NO3P
Molecular Weight151.10 g/mol
Exact Mass151.04
IUPAC Name[(3R)-3-amino-2-oxobutyl]phosphonous acid
SMILESC[C@@H](N)C(=O)CP(O)O
InChIInChI=1S/C4H10NO3P/c1-3(5)4(6)2-9(7)8/h3,7-8H,2,5H2,1H3/t3-/m1/s1
InChIKeyXQAPJBHUTRNMFE-GSVOUGTGSA-N
XLogP-0.80
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.10
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
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 [(3R)-3-amino-2-oxobutyl]phosphonous acid?
The IUPAC name of [(3R)-3-amino-2-oxobutyl]phosphonous acid (CID 91929119) is [(3R)-3-amino-2-oxobutyl]phosphonous acid.
What is the SMILES notation for [(3R)-3-amino-2-oxobutyl]phosphonous acid?
The canonical SMILES for [(3R)-3-amino-2-oxobutyl]phosphonous acid is C[C@@H](N)C(=O)CP(O)O.
What is the InChIKey of [(3R)-3-amino-2-oxobutyl]phosphonous acid?
The InChIKey is XQAPJBHUTRNMFE-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H10NO3P/c1-3(5)4(6)2-9(7)8/h3,7-8H,2,5H2,1H3/t3-/m1/s1.
What are the key properties of [(3R)-3-amino-2-oxobutyl]phosphonous acid?
[(3R)-3-amino-2-oxobutyl]phosphonous acid has a molecular weight of 151.10 g/mol, XLogP of -0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-amino-2-oxobutyl]phosphonous acid is sourced from PubChem (CID 91929119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).