(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid

C9H16N2O7S — CID 104935127

IUPAC(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
SMILESCOC(=O)CCCS(=O)(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O7S/c1-18-8(13)3-2-4-19(16,17)11-6(9(14)15)5-7(10)12/h6,11H,2-5H2,1H3,(H2,10,12)(H,14,15)/t6-/m1/s1
InChIKeyIBVTUAPAFNRYIE-ZCFIWIBFSA-N
MW296.30 g/mol
LogP-1.81
Rot. Bonds9

About (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid (PubChem CID 104935127) has the molecular formula C9H16N2O7S and a molecular weight of 296.30 g/mol. Its IUPAC name is (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
PubChem CID104935127
Molecular FormulaC9H16N2O7S
Molecular Weight296.30 g/mol
Exact Mass296.07
IUPAC Name(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid
SMILESCOC(=O)CCCS(=O)(=O)N[C@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H16N2O7S/c1-18-8(13)3-2-4-19(16,17)11-6(9(14)15)5-7(10)12/h6,11H,2-5H2,1H3,(H2,10,12)(H,14,15)/t6-/m1/s1
InChIKeyIBVTUAPAFNRYIE-ZCFIWIBFSA-N
XLogP-1.81
TPSA152.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 5-1.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid (CID 104935127) is (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid is COC(=O)CCCS(=O)(=O)N[C@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid?
The InChIKey is IBVTUAPAFNRYIE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O7S/c1-18-8(13)3-2-4-19(16,17)11-6(9(14)15)5-7(10)12/h6,11H,2-5H2,1H3,(H2,10,12)(H,14,15)/t6-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid has a molecular weight of 296.30 g/mol, XLogP of -1.81, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(4-methoxy-4-oxobutyl)sulfonylamino]-4-oxobutanoic acid is sourced from PubChem (CID 104935127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).