(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid

C8H17N3O5S — CID 70945830

IUPAC(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid
SMILESN[C@@H](CNS(=O)(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C8H17N3O5S/c9-7(8(13)14)5-10-17(15,16)11-3-1-6(12)2-4-11/h6-7,10,12H,1-5,9H2,(H,13,14)/t7-/m0/s1
InChIKeyJPZNSVGDYJCLGB-ZETCQYMHSA-N
MW267.31 g/mol
LogP-2.31
Rot. Bonds5

About (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid

(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid (PubChem CID 70945830) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid
PubChem CID70945830
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Name(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid
SMILESN[C@@H](CNS(=O)(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C8H17N3O5S/c9-7(8(13)14)5-10-17(15,16)11-3-1-6(12)2-4-11/h6-7,10,12H,1-5,9H2,(H,13,14)/t7-/m0/s1
InChIKeyJPZNSVGDYJCLGB-ZETCQYMHSA-N
XLogP-2.31
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-2.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid (CID 70945830) is (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid is N[C@@H](CNS(=O)(=O)N1CCC(O)CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid?
The InChIKey is JPZNSVGDYJCLGB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H17N3O5S/c9-7(8(13)14)5-10-17(15,16)11-3-1-6(12)2-4-11/h6-7,10,12H,1-5,9H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid?
(2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid has a molecular weight of 267.31 g/mol, XLogP of -2.31, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[(4-hydroxypiperidin-1-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 70945830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).