(2R)-2-(tert-butylsulfamoylamino)butanedioic acid

C8H16N2O6S — CID 104977979

IUPAC(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
SMILESCC(C)(C)NS(=O)(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-8(2,3)10-17(15,16)9-5(7(13)14)4-6(11)12/h5,9-10H,4H2,1-3H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyDHSZXTAHSZCGEG-RXMQYKEDSA-N
MW268.29 g/mol
LogP-0.86
Rot. Bonds6

About (2R)-2-(tert-butylsulfamoylamino)butanedioic acid

(2R)-2-(tert-butylsulfamoylamino)butanedioic acid (PubChem CID 104977979) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is (2R)-2-(tert-butylsulfamoylamino)butanedioic acid.

Molecular Properties

Compound Name(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
PubChem CID104977979
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name(2R)-2-(tert-butylsulfamoylamino)butanedioic acid
SMILESCC(C)(C)NS(=O)(=O)N[C@H](CC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-8(2,3)10-17(15,16)9-5(7(13)14)4-6(11)12/h5,9-10H,4H2,1-3H3,(H,11,12)(H,13,14)/t5-/m1/s1
InChIKeyDHSZXTAHSZCGEG-RXMQYKEDSA-N
XLogP-0.86
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
2-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805224
(2R)-2-(tert-butylsulfamoylamino)-3-methylbutanoic acid
CID 104977951
(2S)-2-(ethylsulfonylamino)butanedioic acid
CID 87146468
3-(tert-butylsulfamoylamino)-3-phenylpropanoic acid
CID 114805164
2-(sulfamoylamino)butanedioic acid
CID 114958995
2-(ethoxycarbonylsulfamoylamino)butanedioic acid
CID 114462931
3-methyl-3-(propan-2-ylsulfamoylamino)butanoic acid
CID 114806347
(2S)-2-(ethylsulfamoylamino)-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 104977995
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835294
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099
tris(2-acetamidobutanedioic acid);phosphane
CID 174666186

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(tert-butylsulfamoylamino)butanedioic acid?
The IUPAC name of (2R)-2-(tert-butylsulfamoylamino)butanedioic acid (CID 104977979) is (2R)-2-(tert-butylsulfamoylamino)butanedioic acid.
What is the SMILES notation for (2R)-2-(tert-butylsulfamoylamino)butanedioic acid?
The canonical SMILES for (2R)-2-(tert-butylsulfamoylamino)butanedioic acid is CC(C)(C)NS(=O)(=O)N[C@H](CC(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-(tert-butylsulfamoylamino)butanedioic acid?
The InChIKey is DHSZXTAHSZCGEG-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-8(2,3)10-17(15,16)9-5(7(13)14)4-6(11)12/h5,9-10H,4H2,1-3H3,(H,11,12)(H,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-(tert-butylsulfamoylamino)butanedioic acid?
(2R)-2-(tert-butylsulfamoylamino)butanedioic acid has a molecular weight of 268.29 g/mol, XLogP of -0.86, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(tert-butylsulfamoylamino)butanedioic acid is sourced from PubChem (CID 104977979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).