(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

C8H16N2O6S — CID 104929158

IUPAC(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC[C@@H](NS(=O)(=O)NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-4-6(7(11)12)9-17(14,15)10-8(13)16-5(2)3/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKeyQDFVTGVOZNGKHQ-ZCFIWIBFSA-N
MW268.29 g/mol
LogP-0.18
Rot. Bonds6

About (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid

(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (PubChem CID 104929158) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
PubChem CID104929158
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid
SMILESCC[C@@H](NS(=O)(=O)NC(=O)OC(C)C)C(=O)O
InChIInChI=1S/C8H16N2O6S/c1-4-6(7(11)12)9-17(14,15)10-8(13)16-5(2)3/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-/m1/s1
InChIKeyQDFVTGVOZNGKHQ-ZCFIWIBFSA-N
XLogP-0.18
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The IUPAC name of (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid (CID 104929158) is (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid.
What is the SMILES notation for (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The canonical SMILES for (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is CC[C@@H](NS(=O)(=O)NC(=O)OC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
The InChIKey is QDFVTGVOZNGKHQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-4-6(7(11)12)9-17(14,15)10-8(13)16-5(2)3/h5-6,9H,4H2,1-3H3,(H,10,13)(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid?
(2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid has a molecular weight of 268.29 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(propan-2-yloxycarbonylsulfamoylamino)butanoic acid is sourced from PubChem (CID 104929158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).