(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid

C11H21NO4S — CID 22885873

IUPAC(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid
SMILESCSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-10(2,3)16-9(15)12-7(8(13)14)11(4,5)17-6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyIGIYFJZICSMVOX-SSDOTTSWSA-N
MW263.36 g/mol
LogP2.11
Rot. Bonds4

About (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid

(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid (PubChem CID 22885873) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid
PubChem CID22885873
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid
SMILESCSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO4S/c1-10(2,3)16-9(15)12-7(8(13)14)11(4,5)17-6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChIKeyIGIYFJZICSMVOX-SSDOTTSWSA-N
XLogP2.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid?
The IUPAC name of (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid (CID 22885873) is (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid?
The canonical SMILES for (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid is CSC(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid?
The InChIKey is IGIYFJZICSMVOX-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-10(2,3)16-9(15)12-7(8(13)14)11(4,5)17-6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid?
(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid has a molecular weight of 263.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-methylsulfanylbutanoic acid is sourced from PubChem (CID 22885873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).