4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid

C13H24N2O6S — CID 120528076

IUPAC4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H24N2O6S/c1-12(2,3)9(14-22(4,20)21)10(16)15-7-5-13(19,6-8-15)11(17)18/h9,14,19H,5-8H2,1-4H3,(H,17,18)
InChIKeyOSCBGIMCYUWDMY-UHFFFAOYSA-N
MW336.41 g/mol
LogP-0.61
Rot. Bonds4

About 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid

4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid (PubChem CID 120528076) has the molecular formula C13H24N2O6S and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid
PubChem CID120528076
Molecular FormulaC13H24N2O6S
Molecular Weight336.41 g/mol
Exact Mass336.14
IUPAC Name4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C13H24N2O6S/c1-12(2,3)9(14-22(4,20)21)10(16)15-7-5-13(19,6-8-15)11(17)18/h9,14,19H,5-8H2,1-4H3,(H,17,18)
InChIKeyOSCBGIMCYUWDMY-UHFFFAOYSA-N
XLogP-0.61
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529104
2-[1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidin-4-yl]acetic acid
CID 120515338
N-[(2S)-1-[(3R)-3-methoxypiperidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]methanesulfonamide
CID 97325419
4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
CID 119251353
1-(4-tert-butylbenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251479
1-[2-(4-acetamidophenyl)sulfanylpropanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251467
4-hydroxy-1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119251773
1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251061
1-acetyl-3-hydroxypyrrolidine-3-carboxylic acid
CID 82411727
(2R)-2-[[2-(methanesulfonamido)-3,3-dimethylbutanoyl]amino]propanoic acid
CID 120526882
(2R)-N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(methanesulfonamido)-3,3-dimethylbutanamide
CID 99815800
ethane;4-hydroxy-1-methylpiperidine-4-carboxylic acid
CID 166471402

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid (CID 120528076) is 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid is CC(C)(C)C(NS(C)(=O)=O)C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid?
The InChIKey is OSCBGIMCYUWDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6S/c1-12(2,3)9(14-22(4,20)21)10(16)15-7-5-13(19,6-8-15)11(17)18/h9,14,19H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid?
4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid has a molecular weight of 336.41 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[2-(methanesulfonamido)-3,3-dimethylbutanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).