2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid

C11H20N2O6S — CID 66172342

IUPAC2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)C1CCCCN1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-11(17,10(15)16)7-12-9(14)8-5-3-4-6-13(8)20(2,18)19/h8,17H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyCGJRYZJQRWAQRT-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.25
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid

2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid (PubChem CID 66172342) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
PubChem CID66172342
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC(O)(CNC(=O)C1CCCCN1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-11(17,10(15)16)7-12-9(14)8-5-3-4-6-13(8)20(2,18)19/h8,17H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyCGJRYZJQRWAQRT-UHFFFAOYSA-N
XLogP-1.25
TPSA124.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
3-(cyclopentanecarbonylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173795
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
2-hydroxy-2-methyl-3-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]propanoic acid
CID 66175944
2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
N-[2-(4-ethylphenyl)-2-methylpropyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 126794993
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid (CID 66172342) is 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid is CC(O)(CNC(=O)C1CCCCN1S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
The InChIKey is CGJRYZJQRWAQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-11(17,10(15)16)7-12-9(14)8-5-3-4-6-13(8)20(2,18)19/h8,17H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid has a molecular weight of 308.36 g/mol, XLogP of -1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66172342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).