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

C9H19N3O5S — CID 70945589

IUPAC(2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C9H19N3O5S/c10-8(9(14)15)1-4-11-18(16,17)12-5-2-7(13)3-6-12/h7-8,11,13H,1-6,10H2,(H,14,15)/t8-/m0/s1
InChIKeyFLXZYVWCDRUGHZ-QMMMGPOBSA-N
MW281.33 g/mol
LogP-1.92
Rot. Bonds6

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

(2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 70945589) has the molecular formula C9H19N3O5S and a molecular weight of 281.33 g/mol. Its IUPAC name is (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID70945589
Molecular FormulaC9H19N3O5S
Molecular Weight281.33 g/mol
Exact Mass281.10
IUPAC Name(2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid
SMILESN[C@@H](CCNS(=O)(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C9H19N3O5S/c10-8(9(14)15)1-4-11-18(16,17)12-5-2-7(13)3-6-12/h7-8,11,13H,1-6,10H2,(H,14,15)/t8-/m0/s1
InChIKeyFLXZYVWCDRUGHZ-QMMMGPOBSA-N
XLogP-1.92
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
CID 67154204
2-Amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
CID 67154819
(2S)-2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
CID 67154821
2-Amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid
CID 70945591
(2S)-2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945673
2-Amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
(2S)-2-amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945795
2-Amino-4-[[4-(dimethylamino)piperidin-1-yl]sulfonylamino]butanoic acid
CID 70945797
(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid
CID 70945830
2-Amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid
CID 70945835
2-Amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
CID 70945944
(2R)-2-amino-4-(4-hydroxypiperidin-1-yl)butanoic acid;butylboronic acid
CID 144269057

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid (CID 70945589) is (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid is N[C@@H](CCNS(=O)(=O)N1CCC(O)CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is FLXZYVWCDRUGHZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19N3O5S/c10-8(9(14)15)1-4-11-18(16,17)12-5-2-7(13)3-6-12/h7-8,11,13H,1-6,10H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid?
(2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 281.33 g/mol, XLogP of -1.92, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(4-hydroxypiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 70945589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).