2-amino-3-hydroxy-4-phosphonooxybutanoate

C4H9NO7P- — CID 1006

IUPAC2-amino-3-hydroxy-4-phosphonooxybutanoate
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)/p-1
InChIKeyFKHAKIJOKDGEII-UHFFFAOYSA-M
MW214.09 g/mol
LogP-3.47
Rot. Bonds5

About 2-amino-3-hydroxy-4-phosphonooxybutanoate

2-amino-3-hydroxy-4-phosphonooxybutanoate (PubChem CID 1006) has the molecular formula C4H9NO7P- and a molecular weight of 214.09 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4-phosphonooxybutanoate.

Molecular Properties

Compound Name2-amino-3-hydroxy-4-phosphonooxybutanoate
PubChem CID1006
Molecular FormulaC4H9NO7P-
Molecular Weight214.09 g/mol
Exact Mass214.01
IUPAC Name2-amino-3-hydroxy-4-phosphonooxybutanoate
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)/p-1
InChIKeyFKHAKIJOKDGEII-UHFFFAOYSA-M
XLogP-3.47
TPSA153.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 5-3.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-hydroxy-4-phosphonooxybutanoic acid
CID 1007
[(2R,3R)-3-amino-2,4-dihydroxybutyl] dihydrogen phosphate
CID 89155758
[(2R,3R,4S,5R)-2-amino-3,4,5-trihydroxy-6-phosphonooxyhexyl] dihydrogen phosphate
CID 156618029
(4S,5R)-4,5-dihydroxy-2-oxo-6-phosphonooxyhexanoic acid
CID 3080745
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 10656380
(6-amino-2,3,4,5-tetrahydroxyhexyl) dihydrogen phosphate
CID 175109402
[(2S,3R)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 135481610
[(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
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
2-amino-3-oxo-4-phosphonooxybutanoate
CID 21145166
2,3,4-trihydroxy-5-phosphonooxypentanoic acid
CID 3283969

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4-phosphonooxybutanoate?
The IUPAC name of 2-amino-3-hydroxy-4-phosphonooxybutanoate (CID 1006) is 2-amino-3-hydroxy-4-phosphonooxybutanoate.
What is the SMILES notation for 2-amino-3-hydroxy-4-phosphonooxybutanoate?
The canonical SMILES for 2-amino-3-hydroxy-4-phosphonooxybutanoate is NC(C(=O)[O-])C(O)COP(=O)(O)O.
What is the InChIKey of 2-amino-3-hydroxy-4-phosphonooxybutanoate?
The InChIKey is FKHAKIJOKDGEII-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 2-amino-3-hydroxy-4-phosphonooxybutanoate?
2-amino-3-hydroxy-4-phosphonooxybutanoate has a molecular weight of 214.09 g/mol, XLogP of -3.47, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4-phosphonooxybutanoate is sourced from PubChem (CID 1006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).