(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid

C10H20N4O6S — CID 63859891

IUPAC(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
SMILESCC(C)(CNC(=O)N[C@@H](CC(N)=O)C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C10H20N4O6S/c1-10(2,14-21(3,19)20)5-12-9(18)13-6(8(16)17)4-7(11)15/h6,14H,4-5H2,1-3H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t6-/m0/s1
InChIKeyZLTBIIRPJIEBTF-LURJTMIESA-N
MW324.36 g/mol
LogP-2.06
Rot. Bonds8

About (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid (PubChem CID 63859891) has the molecular formula C10H20N4O6S and a molecular weight of 324.36 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
PubChem CID63859891
Molecular FormulaC10H20N4O6S
Molecular Weight324.36 g/mol
Exact Mass324.11
IUPAC Name(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid
SMILESCC(C)(CNC(=O)N[C@@H](CC(N)=O)C(=O)O)NS(C)(=O)=O
InChIInChI=1S/C10H20N4O6S/c1-10(2,14-21(3,19)20)5-12-9(18)13-6(8(16)17)4-7(11)15/h6,14H,4-5H2,1-3H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t6-/m0/s1
InChIKeyZLTBIIRPJIEBTF-LURJTMIESA-N
XLogP-2.06
TPSA167.69 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 5-2.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-4-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]butanoic acid
CID 107827881
(2S)-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]hexanoic acid
CID 107146129
(2S)-4-amino-4-oxo-2-(2,2,3-trimethylbutylcarbamoylamino)butanoic acid
CID 114101316
(2S)-4-amino-2-[(2-methoxy-2-methylpropyl)carbamoylamino]-4-oxobutanoic acid
CID 113450673
4-amino-2-(ethylcarbamoylamino)-4-oxobutanoic acid
CID 43164836
(2R)-4-amino-2-[3-(methanesulfonamido)propylcarbamoylamino]-4-oxobutanoic acid
CID 106340374
(2R)-2-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]butanedioic acid
CID 114167574
(2S)-2-amino-N-[2-(methanesulfonamido)-2-methylpropyl]propanamide
CID 78952829
(2S)-4-amino-2-[[2-(ethylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 63714734
4-amino-2-[[2-(methylamino)-2-oxoethyl]carbamoylamino]-4-oxobutanoic acid
CID 61197619
(2S)-4-amino-4-oxo-2-(propan-2-ylcarbamoylamino)butanoic acid
CID 28737850
(2S)-4-amino-2-(2,2-dimethylpropanoylamino)-4-oxobutanoic acid
CID 30053119

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid (CID 63859891) is (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid is CC(C)(CNC(=O)N[C@@H](CC(N)=O)C(=O)O)NS(C)(=O)=O.
What is the InChIKey of (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid?
The InChIKey is ZLTBIIRPJIEBTF-LURJTMIESA-N. The full InChI is InChI=1S/C10H20N4O6S/c1-10(2,14-21(3,19)20)5-12-9(18)13-6(8(16)17)4-7(11)15/h6,14H,4-5H2,1-3H3,(H2,11,15)(H,16,17)(H2,12,13,18)/t6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid has a molecular weight of 324.36 g/mol, XLogP of -2.06, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 63859891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).