2-amino-3-hydroxy-4-phosphonooxybutanoic acid

C4H10NO7P — CID 1007

IUPAC2-amino-3-hydroxy-4-phosphonooxybutanoic acid
SMILESNC(C(=O)O)C(O)COP(=O)(O)O
InChIInChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)
InChIKeyFKHAKIJOKDGEII-UHFFFAOYSA-N
MW215.10 g/mol
LogP-2.13
Rot. Bonds5

About 2-amino-3-hydroxy-4-phosphonooxybutanoic acid

2-amino-3-hydroxy-4-phosphonooxybutanoic acid (PubChem CID 1007) has the molecular formula C4H10NO7P and a molecular weight of 215.10 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4-phosphonooxybutanoic acid.

Molecular Properties

Compound Name2-amino-3-hydroxy-4-phosphonooxybutanoic acid
PubChem CID1007
Molecular FormulaC4H10NO7P
Molecular Weight215.10 g/mol
Exact Mass215.02
IUPAC Name2-amino-3-hydroxy-4-phosphonooxybutanoic acid
SMILESNC(C(=O)O)C(O)COP(=O)(O)O
InChIInChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)
InChIKeyFKHAKIJOKDGEII-UHFFFAOYSA-N
XLogP-2.13
TPSA150.31 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.10
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-hydroxy-4-phosphonooxybutanoate
CID 1006
2,3,4-trihydroxy-5-phosphonooxypentanoic acid
CID 3283969
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
CID 89155758
GLUCONIC ACID 6-(DIHYDROGEN PHOSPHATE), BARIUM SALT
CID 126960458
[(2R,3R,4S,5R)-2-amino-3,4,5-trihydroxy-6-phosphonooxyhexyl] dihydrogen phosphate
CID 156618029
(2S)-2-amino-3-phosphonooxypropanoic acid;propane-1,2,3-triol
CID 160724089
(4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid
CID 3080745
[(2S,3R)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 135481610
(6-amino-2,3,4,5-tetrahydroxyhexyl) dihydrogen phosphate
CID 175109402
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 10656380
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3,4,5-13C5)pentyl] dihydrogen phosphate
CID 10822726
[(3S,4R,5R)-5-amino-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate
CID 45109785

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4-phosphonooxybutanoic acid?
The IUPAC name of 2-amino-3-hydroxy-4-phosphonooxybutanoic acid (CID 1007) is 2-amino-3-hydroxy-4-phosphonooxybutanoic acid.
What is the SMILES notation for 2-amino-3-hydroxy-4-phosphonooxybutanoic acid?
The canonical SMILES for 2-amino-3-hydroxy-4-phosphonooxybutanoic acid is NC(C(=O)O)C(O)COP(=O)(O)O.
What is the InChIKey of 2-amino-3-hydroxy-4-phosphonooxybutanoic acid?
The InChIKey is FKHAKIJOKDGEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11).
What are the key properties of 2-amino-3-hydroxy-4-phosphonooxybutanoic acid?
2-amino-3-hydroxy-4-phosphonooxybutanoic acid has a molecular weight of 215.10 g/mol, XLogP of -2.13, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4-phosphonooxybutanoic acid is sourced from PubChem (CID 1007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).