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

C8H16N2O5S — CID 104934949

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

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

(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid (PubChem CID 104934949) has the molecular formula C8H16N2O5S and a molecular weight of 252.29 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
PubChem CID104934949
Molecular FormulaC8H16N2O5S
Molecular Weight252.29 g/mol
Exact Mass252.08
IUPAC Name(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@H](CCO)NS(=O)(=O)N1CCCC1
InChIInChI=1S/C8H16N2O5S/c11-6-3-7(8(12)13)9-16(14,15)10-4-1-2-5-10/h7,9,11H,1-6H2,(H,12,13)/t7-/m0/s1
InChIKeyYTRNSOVQIIIXNR-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

(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
CID 61244989
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
4-methylsulfonyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43094874
2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43470011
2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 43470014
(2R)-2-(azepan-1-ylsulfonylamino)-4-methylpentanoic acid
CID 28783951
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
(2R)-2-(azetidin-1-ylsulfonylamino)-3-phenylpropanoic acid
CID 122069411
N-(1,3-dihydroxypropan-2-yl)piperidine-1-sulfonamide
CID 65314238
4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 61244034
(2R)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783968

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid (CID 104934949) is (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid is O=C(O)[C@H](CCO)NS(=O)(=O)N1CCCC1.
What is the InChIKey of (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is YTRNSOVQIIIXNR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O5S/c11-6-3-7(8(12)13)9-16(14,15)10-4-1-2-5-10/h7,9,11H,1-6H2,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid?
(2S)-4-hydroxy-2-(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)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 104934949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).