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

C11H20N2O5S — CID 62676219

IUPAC2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1CCCCN1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-8(11(15)16)7-12-10(14)9-5-3-4-6-13(9)19(2,17)18/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyAWDWGNQLOHGSMA-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.36
Rot. Bonds5

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

2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid (PubChem CID 62676219) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
PubChem CID62676219
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1CCCCN1S(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H20N2O5S/c1-8(11(15)16)7-12-10(14)9-5-3-4-6-13(9)19(2,17)18/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyAWDWGNQLOHGSMA-UHFFFAOYSA-N
XLogP-0.36
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1-methylsulfonylpiperidine-2-carbonyl)amino]methyl]butanoic acid
CID 65218125
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
(2S)-N-[(2R)-2-(dimethylamino)-3-methylbutyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 94014919
N-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-1-methylsulfonylpiperidine-2-carboxamide
CID 86823860
N-(2-hydroxy-4-methylpentyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 103771592
2-methyl-3-[(1-methylsulfonylpiperidine-3-carbonyl)amino]propanoic acid
CID 55105113
(2R)-2-methyl-3-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 97324577
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
(2S)-2-[(3-methylphenyl)methyl]-3-[[(2S)-1-methylsulfonylpiperidine-2-carbonyl]amino]propanoic acid
CID 125154147
(2S)-N-[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 94026257
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid (CID 62676219) is 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid is CC(CNC(=O)C1CCCCN1S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
The InChIKey is AWDWGNQLOHGSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-8(11(15)16)7-12-10(14)9-5-3-4-6-13(9)19(2,17)18/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid has a molecular weight of 292.36 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 62676219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).