phosphono 2-amino-3-hydroxybutanoate

C4H10NO6P — CID 23421193

IUPACphosphono 2-amino-3-hydroxybutanoate
SMILESCC(O)C(N)C(=O)OP(=O)(O)O
InChIInChI=1S/C4H10NO6P/c1-2(6)3(5)4(7)11-12(8,9)10/h2-3,6H,5H2,1H3,(H2,8,9,10)
InChIKeyUQZANBVFJHEGCQ-UHFFFAOYSA-N
MW199.10 g/mol
LogP-1.67
Rot. Bonds3

About phosphono 2-amino-3-hydroxybutanoate

phosphono 2-amino-3-hydroxybutanoate (PubChem CID 23421193) has the molecular formula C4H10NO6P and a molecular weight of 199.10 g/mol. Its IUPAC name is phosphono 2-amino-3-hydroxybutanoate.

Molecular Properties

Compound Namephosphono 2-amino-3-hydroxybutanoate
PubChem CID23421193
Molecular FormulaC4H10NO6P
Molecular Weight199.10 g/mol
Exact Mass199.02
IUPAC Namephosphono 2-amino-3-hydroxybutanoate
SMILESCC(O)C(N)C(=O)OP(=O)(O)O
InChIInChI=1S/C4H10NO6P/c1-2(6)3(5)4(7)11-12(8,9)10/h2-3,6H,5H2,1H3,(H2,8,9,10)
InChIKeyUQZANBVFJHEGCQ-UHFFFAOYSA-N
XLogP-1.67
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phosphono 2,2-dihydroxyacetate
CID 18352457
propan-2-yl (2S,3S)-2-amino-3-hydroxybutanoate
CID 93251792
(2S,3R)-2-amino-3-hydroxybutaneperoxoic acid
CID 87892301
phosphanyl (2S,3R)-2-amino-3-hydroxybutanoate
CID 174381323
propan-2-yl (2R,3R)-2-amino-3-hydroxybutanoate;hydrochloride
CID 122539225
2-methoxyethyl 2-amino-3-hydroxybutanoate
CID 61279925
phosphono (3R)-3-aminobutanoate
CID 118530931
phosphono (2S)-2-(methoxyamino)propanoate
CID 21349700
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
Carbamic acid, monoanhydride with phosphoric acid, dilithium salt
CID 87130155
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840

Frequently Asked Questions

What is the IUPAC name of phosphono 2-amino-3-hydroxybutanoate?
The IUPAC name of phosphono 2-amino-3-hydroxybutanoate (CID 23421193) is phosphono 2-amino-3-hydroxybutanoate.
What is the SMILES notation for phosphono 2-amino-3-hydroxybutanoate?
The canonical SMILES for phosphono 2-amino-3-hydroxybutanoate is CC(O)C(N)C(=O)OP(=O)(O)O.
What is the InChIKey of phosphono 2-amino-3-hydroxybutanoate?
The InChIKey is UQZANBVFJHEGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO6P/c1-2(6)3(5)4(7)11-12(8,9)10/h2-3,6H,5H2,1H3,(H2,8,9,10).
What are the key properties of phosphono 2-amino-3-hydroxybutanoate?
phosphono 2-amino-3-hydroxybutanoate has a molecular weight of 199.10 g/mol, XLogP of -1.67, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phosphono 2-amino-3-hydroxybutanoate is sourced from PubChem (CID 23421193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).