(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid

C9H20N2O4S — CID 104977951

IUPAC(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6(2)7(8(12)13)10-16(14,15)11-9(3,4)5/h6-7,10-11H,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyJGPUSELROZRMEW-SSDOTTSWSA-N
MW252.34 g/mol
LogP0.32
Rot. Bonds5

About (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid

(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid (PubChem CID 104977951) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
PubChem CID104977951
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC Name(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C9H20N2O4S/c1-6(2)7(8(12)13)10-16(14,15)11-9(3,4)5/h6-7,10-11H,1-5H3,(H,12,13)/t7-/m1/s1
InChIKeyJGPUSELROZRMEW-SSDOTTSWSA-N
XLogP0.32
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(tert-butylsulfamoylamino)-3-methylbutanoate
CID 114811428
(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
CID 104977979
(2S)-3-methyl-2-(2,2,2-trifluoroethylsulfamoylamino)butanoic acid
CID 104977827
(2S)-3-methyl-2-(propylsulfamoylamino)butanoic acid
CID 104977826
(2S)-2-(tert-butylamino)-3-methylbutanoic acid
CID 12837673
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
2-N-(tert-butylsulfamoyl)-3-methylbutane-1,2-diamine
CID 114804054
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
CID 79011296
2-(3,3-dimethylbutan-2-ylamino)-3-methylbutanoic acid
CID 103265266
3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
CID 63856585
2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805224
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid (CID 104977951) is (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid is CC(C)[C@@H](NS(=O)(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid?
The InChIKey is JGPUSELROZRMEW-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-6(2)7(8(12)13)10-16(14,15)11-9(3,4)5/h6-7,10-11H,1-5H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid?
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid has a molecular weight of 252.34 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 104977951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).