(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid

C10H21N3O6S — CID 107827881

IUPAC(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
SMILESCC(C)(CNC(=O)N[C@H](CCO)C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C10H21N3O6S/c1-10(2,13-20(3,18)19)6-11-9(17)12-7(4-5-14)8(15)16/h7,13-14H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)/t7-/m1/s1
InChIKeyZXNNKKBATDZZHM-SSDOTTSWSA-N
MW311.36 g/mol
LogP-1.55
Rot. Bonds8

About (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid

(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid (PubChem CID 107827881) has the molecular formula C10H21N3O6S and a molecular weight of 311.36 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
PubChem CID107827881
Molecular FormulaC10H21N3O6S
Molecular Weight311.36 g/mol
Exact Mass311.12
IUPAC Name(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
SMILESCC(C)(CNC(=O)N[C@H](CCO)C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C10H21N3O6S/c1-10(2,13-20(3,18)19)6-11-9(17)12-7(4-5-14)8(15)16/h7,13-14H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)/t7-/m1/s1
InChIKeyZXNNKKBATDZZHM-SSDOTTSWSA-N
XLogP-1.55
TPSA144.83 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]hexanoic acid
CID 107146129
(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
CID 63859891
(2S)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]-4-hydroxybutanoic acid
CID 106279185
(2S)-4-hydroxy-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 107823851
(2R)-4-hydroxy-2-[3-(methanesulfonamido)propylcarbamoylamino]butanoic acid
CID 106340386
(2R)-4-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 107827205
(2R)-4-hydroxy-2-(methylcarbamoylamino)butanoic acid
CID 91507162
(2S)-4-hydroxy-2-(2-sulfamoylethylcarbamoylamino)butanoic acid
CID 107826259
(2S)-4-hydroxy-2-(2-methylpentan-2-ylcarbamoylamino)butanoic acid
CID 107829003
(2S)-4-hydroxy-2-[[3-(methylamino)-3-oxopropyl]carbamoylamino]butanoic acid
CID 107827283
(2R)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 106340659
(2S)-4-hydroxy-2-[2-(methylsulfamoyl)ethylcarbamoylamino]butanoic acid
CID 114175731

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid (CID 107827881) is (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid is CC(C)(CNC(=O)N[C@H](CCO)C(=O)O)NS(C)(=O)=O.
What is the InChIKey of (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid?
The InChIKey is ZXNNKKBATDZZHM-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H21N3O6S/c1-10(2,13-20(3,18)19)6-11-9(17)12-7(4-5-14)8(15)16/h7,13-14H,4-6H2,1-3H3,(H,15,16)(H2,11,12,17)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid?
(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid has a molecular weight of 311.36 g/mol, XLogP of -1.55, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 107827881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).