(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

C10H20N2O6S — CID 104929128

IUPAC(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O6S/c1-6(2)18-9(15)12-19(16,17)11-7(8(13)14)10(3,4)5/h6-7,11H,1-5H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeySFBZWXACZOIANT-SSDOTTSWSA-N
MW296.35 g/mol
LogP0.45
Rot. Bonds5

About (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (PubChem CID 104929128) has the molecular formula C10H20N2O6S and a molecular weight of 296.35 g/mol. Its IUPAC name is (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
PubChem CID104929128
Molecular FormulaC10H20N2O6S
Molecular Weight296.35 g/mol
Exact Mass296.10
IUPAC Name(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC(C)OC(=O)NS(=O)(=O)N[C@H](C(=O)O)C(C)(C)C
InChIInChI=1S/C10H20N2O6S/c1-6(2)18-9(15)12-19(16,17)11-7(8(13)14)10(3,4)5/h6-7,11H,1-5H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeySFBZWXACZOIANT-SSDOTTSWSA-N
XLogP0.45
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-3-(propan-2-yloxycarbonylsulfamoylamino)pentanoic acid
CID 114463001
2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
CID 114462104
propan-2-yl N-(butan-2-ylsulfamoyl)carbamate
CID 114463084
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
(2S)-2-hydroxy-3-(propan-2-yloxycarbonylsulfamoylamino)propanoic acid
CID 107835199
3-(propan-2-yloxycarbonylsulfamoylamino)hexanoic acid
CID 114462997
propan-2-yl N-(1-chlorobutan-2-ylsulfamoyl)carbamate
CID 114466308
2-(ethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468064
propan-2-yl N-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]carbamate
CID 114464301
2-[[2-(propan-2-yloxycarbonylsulfamoylamino)acetyl]amino]acetic acid
CID 114462094
2-[(propan-2-yloxycarbonylsulfamoylamino)methyl]butanoic acid
CID 114462771

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The IUPAC name of (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (CID 104929128) is (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The canonical SMILES for (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is CC(C)OC(=O)NS(=O)(=O)N[C@H](C(=O)O)C(C)(C)C.
What is the InChIKey of (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The InChIKey is SFBZWXACZOIANT-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H20N2O6S/c1-6(2)18-9(15)12-19(16,17)11-7(8(13)14)10(3,4)5/h6-7,11H,1-5H3,(H,12,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
(2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid has a molecular weight of 296.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-dimethyl-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is sourced from PubChem (CID 104929128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).