(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid

C9H19N3O6S — CID 106340386

IUPAC(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
SMILESCS(=O)(=O)NCCCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H19N3O6S/c1-19(17,18)11-5-2-4-10-9(16)12-7(3-6-13)8(14)15/h7,11,13H,2-6H2,1H3,(H,14,15)(H2,10,12,16)/t7-/m1/s1
InChIKeyGUCMSZRYUBKMNS-SSDOTTSWSA-N
MW297.33 g/mol
LogP-1.94
Rot. Bonds9

About (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid (PubChem CID 106340386) has the molecular formula C9H19N3O6S and a molecular weight of 297.33 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
PubChem CID106340386
Molecular FormulaC9H19N3O6S
Molecular Weight297.33 g/mol
Exact Mass297.10
IUPAC Name(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
SMILESCS(=O)(=O)NCCCNC(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C9H19N3O6S/c1-19(17,18)11-5-2-4-10-9(16)12-7(3-6-13)8(14)15/h7,11,13H,2-6H2,1H3,(H,14,15)(H2,10,12,16)/t7-/m1/s1
InChIKeyGUCMSZRYUBKMNS-SSDOTTSWSA-N
XLogP-1.94
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 5-1.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-4-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 107827205
(2R)-4-amino-2-[3-(methanesulfonamido)propylcarbamoylamino]-4-oxobutanoic acid
CID 106340374
2-[3-(methanesulfonamido)propylcarbamoylamino]pent-4-enoic acid
CID 106340387
3-hydroxy-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 61202621
2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
CID 61200748
(2S)-4-hydroxy-2-[3-[methyl(propan-2-yl)amino]propylcarbamoylamino]butanoic acid
CID 114139590
3-[3-(methanesulfonamido)propylcarbamoylamino]-2-methylbutanoic acid
CID 106340277
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
(2S,3R)-3-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340266
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731
(2S)-4-hydroxy-2-(4-methoxybutylcarbamoylamino)butanoic acid
CID 107827216

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid (CID 106340386) is (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid is CS(=O)(=O)NCCCNC(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid?
The InChIKey is GUCMSZRYUBKMNS-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H19N3O6S/c1-19(17,18)11-5-2-4-10-9(16)12-7(3-6-13)8(14)15/h7,11,13H,2-6H2,1H3,(H,14,15)(H2,10,12,16)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid has a molecular weight of 297.33 g/mol, XLogP of -1.94, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid is sourced from PubChem (CID 106340386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).