(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid

C9H18N2O5S — CID 67154204

IUPAC(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
SMILESN[C@@H](CCS(=O)(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C9H18N2O5S/c10-8(9(13)14)3-6-17(15,16)11-4-1-7(12)2-5-11/h7-8,12H,1-6,10H2,(H,13,14)/t8-/m0/s1
InChIKeyUZGVTHNHVBMLGA-QMMMGPOBSA-N
MW266.32 g/mol
LogP-1.43
Rot. Bonds5

About (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid

(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid (PubChem CID 67154204) has the molecular formula C9H18N2O5S and a molecular weight of 266.32 g/mol. Its IUPAC name is (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
PubChem CID67154204
Molecular FormulaC9H18N2O5S
Molecular Weight266.32 g/mol
Exact Mass266.09
IUPAC Name(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid
SMILESN[C@@H](CCS(=O)(=O)N1CCC(O)CC1)C(=O)O
InChIInChI=1S/C9H18N2O5S/c10-8(9(13)14)3-6-17(15,16)11-4-1-7(12)2-5-11/h7-8,12H,1-6,10H2,(H,13,14)/t8-/m0/s1
InChIKeyUZGVTHNHVBMLGA-QMMMGPOBSA-N
XLogP-1.43
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 5-1.43
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-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid (CID 67154204) is (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid is N[C@@H](CCS(=O)(=O)N1CCC(O)CC1)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
The InChIKey is UZGVTHNHVBMLGA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O5S/c10-8(9(13)14)3-6-17(15,16)11-4-1-7(12)2-5-11/h7-8,12H,1-6,10H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid?
(2S)-2-amino-4-(4-hydroxypiperidin-1-yl)sulfonylbutanoic acid has a molecular weight of 266.32 g/mol, XLogP of -1.43, 5 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-hydroxypiperidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 67154204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).