(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid

C4H11N2O7PS — CID 87434750

IUPAC(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid
SMILESN[C@@H](CS(=O)(=O)NCP(=O)(O)O)C(=O)O
InChIInChI=1S/C4H11N2O7PS/c5-3(4(7)8)1-15(12,13)6-2-14(9,10)11/h3,6H,1-2,5H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1
InChIKeyYJOBOFIUPBECCS-VKHMYHEASA-N
MW262.18 g/mol
LogP-2.55
Rot. Bonds6

About (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid

(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid (PubChem CID 87434750) has the molecular formula C4H11N2O7PS and a molecular weight of 262.18 g/mol. Its IUPAC name is (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid
PubChem CID87434750
Molecular FormulaC4H11N2O7PS
Molecular Weight262.18 g/mol
Exact Mass262.00
IUPAC Name(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid
SMILESN[C@@H](CS(=O)(=O)NCP(=O)(O)O)C(=O)O
InChIInChI=1S/C4H11N2O7PS/c5-3(4(7)8)1-15(12,13)6-2-14(9,10)11/h3,6H,1-2,5H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1
InChIKeyYJOBOFIUPBECCS-VKHMYHEASA-N
XLogP-2.55
TPSA167.02 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.18
LogP ≤ 5-2.55
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-(2-hydroxyethylsulfamoyl)propanoic acid
CID 89124334
(2R)-2-amino-3-(propan-2-ylsulfamoyl)propanoic acid
CID 89124021
calcium;(2S)-2-amino-3-sulfopropanoic acid;hydride
CID 173179874
2-amino-3-sulfopropanoic acid;butanedioic acid
CID 174432635
2-amino-3-methylsulfonylpropanoic acid;hydrochloride
CID 138111044
2-amino-3-(carboxymethylsulfonyl)propanoic acid
CID 4309092
2-amino-4-(propylsulfamoyl)butanoic acid;hydrochloride
CID 155943355
2-amino-3-hydroxypropanoic acid;aminophosphonic acid
CID 118456390
2-amino-2-phosphonoacetic acid
CID 14104870
(2S)-2-amino-4-(2-hydroxyethylsulfamoyl)butanoic acid
CID 87289729
2-amino-3-hydrazinylpropanoic acid
CID 155021010
(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
CID 24854389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid?
The IUPAC name of (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid (CID 87434750) is (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid is N[C@@H](CS(=O)(=O)NCP(=O)(O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid?
The InChIKey is YJOBOFIUPBECCS-VKHMYHEASA-N. The full InChI is InChI=1S/C4H11N2O7PS/c5-3(4(7)8)1-15(12,13)6-2-14(9,10)11/h3,6H,1-2,5H2,(H,7,8)(H2,9,10,11)/t3-/m0/s1.
What are the key properties of (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid?
(2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid has a molecular weight of 262.18 g/mol, XLogP of -2.55, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(phosphonomethylsulfamoyl)propanoic acid is sourced from PubChem (CID 87434750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).