(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid

C8H16N2O5S — CID 28783815

IUPAC(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C8H16N2O5S/c1-6(11)7(8(12)13)9-16(14,15)10-4-2-3-5-10/h6-7,9,11H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyCSCKUZRYBINLOH-RQJHMYQMSA-N
MW252.29 g/mol
LogP-1.25
Rot. Bonds5

About (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid

(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid (PubChem CID 28783815) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
PubChem CID28783815
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESC[C@@H](O)[C@H](NS(=O)(=O)N1CCCC1)C(=O)O
InChIInChI=1S/C8H16N2O5S/c1-6(11)7(8(12)13)9-16(14,15)10-4-2-3-5-10/h6-7,9,11H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1
InChIKeyCSCKUZRYBINLOH-RQJHMYQMSA-N
XLogP-1.25
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-methyl-2-(pyrrolidin-1-ylsulfonylamino)pentanoic acid
CID 28784129
(2S)-3-methyl-2-(piperidin-1-ylsulfonylamino)pentanoic acid
CID 61173835
(2S,3S)-2-(azetidin-1-ylsulfonylamino)-3-methylpentanoic acid
CID 122069875
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2S)-2-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-3-methylbutanoic acid
CID 61136238
5-(piperidin-1-ylsulfonylamino)hexanoic acid
CID 82854421
N-(1-aminoethyl)pyrrolidine-1-sulfonamide
CID 117126220
methyl 2-(piperidin-1-ylsulfonylamino)propanoate
CID 60723843
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid (CID 28783815) is (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid is C[C@@H](O)[C@H](NS(=O)(=O)N1CCCC1)C(=O)O.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is CSCKUZRYBINLOH-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H16N2O5S/c1-6(11)7(8(12)13)9-16(14,15)10-4-2-3-5-10/h6-7,9,11H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
(2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 28783815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).