4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid

C10H20N2O5S — CID 61244989

IUPAC4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCCN(S(=O)(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C10H20N2O5S/c1-8-3-2-5-12(7-8)18(16,17)11-9(4-6-13)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyLZUYPCQROUHHRD-UHFFFAOYSA-N
MW280.35 g/mol
LogP-0.61
Rot. Bonds6

About 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid

4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid (PubChem CID 61244989) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
PubChem CID61244989
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Name4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid
SMILESCC1CCCN(S(=O)(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C10H20N2O5S/c1-8-3-2-5-12(7-8)18(16,17)11-9(4-6-13)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15)
InChIKeyLZUYPCQROUHHRD-UHFFFAOYSA-N
XLogP-0.61
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-methoxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]-5-oxopentanoic acid
CID 104935653
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080
2-methyl-6-[(3-methylpiperidin-1-yl)sulfonylamino]heptanoic acid
CID 65285279
2-[(4-methylpiperidin-1-yl)sulfonylamino]pentanoic acid
CID 43631191
2-[[(3-methylpiperidin-1-yl)sulfonylamino]methyl]pentanoic acid
CID 65221881
4-hydroxy-2-[(1-methylsulfonylpiperidine-3-carbonyl)amino]butanoic acid
CID 61244034
N-[2-(2-hydroxyethyl)pentyl]-3-methylpiperidine-1-sulfonamide
CID 103836469
4-methylsulfonyl-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 43110816
N-cyclopropyl-3-methylpiperidine-1-sulfonamide
CID 60746010
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The IUPAC name of 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid (CID 61244989) is 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid.
What is the SMILES notation for 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The canonical SMILES for 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid is CC1CCCN(S(=O)(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
The InChIKey is LZUYPCQROUHHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-8-3-2-5-12(7-8)18(16,17)11-9(4-6-13)10(14)15/h8-9,11,13H,2-7H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid?
4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid has a molecular weight of 280.35 g/mol, XLogP of -0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[(3-methylpiperidin-1-yl)sulfonylamino]butanoic acid is sourced from PubChem (CID 61244989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).