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

C11H24N4O4S — CID 70945795

IUPAC(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)NCC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H24N4O4S/c1-14(2)9-4-7-15(8-5-9)20(18,19)13-6-3-10(12)11(16)17/h9-10,13H,3-8,12H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyBBPOPCQJRGQTQZ-JTQLQIEISA-N
MW308.40 g/mol
LogP-1.35
Rot. Bonds7

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

(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid (PubChem CID 70945795) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
PubChem CID70945795
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC Name(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
SMILESCN(C)C1CCN(S(=O)(=O)NCC[C@H](N)C(=O)O)CC1
InChIInChI=1S/C11H24N4O4S/c1-14(2)9-4-7-15(8-5-9)20(18,19)13-6-3-10(12)11(16)17/h9-10,13H,3-8,12H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyBBPOPCQJRGQTQZ-JTQLQIEISA-N
XLogP-1.35
TPSA115.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
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]sulfonylamino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid (CID 70945795) is (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid is CN(C)C1CCN(S(=O)(=O)NCC[C@H](N)C(=O)O)CC1.
What is the InChIKey of (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid?
The InChIKey is BBPOPCQJRGQTQZ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-14(2)9-4-7-15(8-5-9)20(18,19)13-6-3-10(12)11(16)17/h9-10,13H,3-8,12H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid?
(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid has a molecular weight of 308.40 g/mol, XLogP of -1.35, 7 rotatable bonds, 3 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]sulfonylamino]butanoic acid is sourced from PubChem (CID 70945795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).