(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid

C8H16N2O5S — CID 104934018

IUPAC(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16N2O5S/c11-7(8(12)13)3-4-9-16(14,15)10-5-1-2-6-10/h7,9,11H,1-6H2,(H,12,13)/t7-/m0/s1
InChIKeyNAHSBKNAEHBCPO-ZETCQYMHSA-N
MW252.29 g/mol
LogP-1.25
Rot. Bonds6

About (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid

(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid (PubChem CID 104934018) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
PubChem CID104934018
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](O)CCNS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16N2O5S/c11-7(8(12)13)3-4-9-16(14,15)10-5-1-2-6-10/h7,9,11H,1-6H2,(H,12,13)/t7-/m0/s1
InChIKeyNAHSBKNAEHBCPO-ZETCQYMHSA-N
XLogP-1.25
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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

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Related Compounds

2-methyl-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 80540441
2-amino-4-(piperidin-1-ylsulfonylamino)butanoic acid
CID 70945674
4-(azepan-1-ylsulfonylamino)-2-methylbutanoic acid
CID 80540504
N-(3-hydroxybutyl)piperidine-1-sulfonamide
CID 64911230
N-(3-bromobutyl)piperidine-1-sulfonamide
CID 114297689
N-[(3R)-3-aminobutyl]azepane-1-sulfonamide
CID 95037628
6-(pyrrolidin-1-ylsulfonylamino)hexanoic acid
CID 28783630
2-amino-4-[(4-methylpiperazin-1-yl)sulfonylamino]butanoic acid
CID 70945316
4-[(4-methoxycarbonylpiperidin-1-yl)sulfonylamino]-2-methylbutanoic acid
CID 80537972
N-[2-(methylamino)ethyl]pyrrolidine-1-sulfonamide
CID 62657611
N-(2,3-dihydroxypropyl)pyrrolidine-1-sulfonamide
CID 66176482
N-(3-bromo-4-methoxybutyl)pyrrolidine-1-sulfonamide
CID 106245632

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid (CID 104934018) is (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid is O=C(O)[C@@H](O)CCNS(=O)(=O)N1CCCC1.
What is the InChIKey of (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is NAHSBKNAEHBCPO-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O5S/c11-7(8(12)13)3-4-9-16(14,15)10-5-1-2-6-10/h7,9,11H,1-6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 252.29 g/mol, XLogP of -1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 104934018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).