(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid

C11H23N3O4S — CID 67154800

IUPAC(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)CC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H23N3O4S/c1-13(2)9-3-6-14(7-4-9)19(17,18)8-5-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyMFGQZCCXGJOQLX-JTQLQIEISA-N
MW293.39 g/mol
LogP-0.86
Rot. Bonds6

About (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid

(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid (PubChem CID 67154800) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid
PubChem CID67154800
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)CC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H23N3O4S/c1-13(2)9-3-6-14(7-4-9)19(17,18)8-5-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeyMFGQZCCXGJOQLX-JTQLQIEISA-N
XLogP-0.86
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid (CID 67154800) is (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid is CN(C)C1CCN(S(=O)(=O)CC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid?
The InChIKey is MFGQZCCXGJOQLX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-13(2)9-3-6-14(7-4-9)19(17,18)8-5-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid?
(2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid has a molecular weight of 293.39 g/mol, XLogP of -0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[4-(dimethylamino)piperidin-1-yl]sulfonylbutanoic acid is sourced from PubChem (CID 67154800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).