(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid

C4H10NO6P — CID 25153772

IUPAC(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NCP(=O)(O)O
InChIInChI=1S/C4H10NO6P/c6-1-3(4(7)8)5-2-12(9,10)11/h3,5-6H,1-2H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1
InChIKeyRRWROSIFPFQOBK-VKHMYHEASA-N
MW199.10 g/mol
LogP-1.84
Rot. Bonds5

About (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid

(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid (PubChem CID 25153772) has the molecular formula C4H10NO6P and a molecular weight of 199.10 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
PubChem CID25153772
Molecular FormulaC4H10NO6P
Molecular Weight199.10 g/mol
Exact Mass199.02
IUPAC Name(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
SMILESO=C(O)[C@H](CO)NCP(=O)(O)O
InChIInChI=1S/C4H10NO6P/c6-1-3(4(7)8)5-2-12(9,10)11/h3,5-6H,1-2H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1
InChIKeyRRWROSIFPFQOBK-VKHMYHEASA-N
XLogP-1.84
TPSA127.09 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.10
LogP ≤ 5-1.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(phosphonomethylamino)-3-sulfanylpropanoic acid;sulfuric acid
CID 87618119
[(1-ethoxy-3-hydroxy-1-oxopropan-2-yl)amino]methylphosphonic acid
CID 174568005
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
(2S)-3-ethoxy-2-(phosphonomethylamino)propanoic acid
CID 90871035
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
2-(phosphonomethylamino)butanoic acid;yttrium
CID 58862506
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
(2S)-6-(carbamoylamino)-2-(phosphonomethylamino)hexanoic acid
CID 25153969

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid (CID 25153772) is (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid is O=C(O)[C@H](CO)NCP(=O)(O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid?
The InChIKey is RRWROSIFPFQOBK-VKHMYHEASA-N. The full InChI is InChI=1S/C4H10NO6P/c6-1-3(4(7)8)5-2-12(9,10)11/h3,5-6H,1-2H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid?
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid has a molecular weight of 199.10 g/mol, XLogP of -1.84, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid is sourced from PubChem (CID 25153772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).