2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid

C11H20N2O6S — CID 106107966

IUPAC2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-19-9(11(15)16)7-12-10(14)8-3-5-13(6-4-8)20(2,17)18/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJGGNHCVGPXJJEE-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.13
Rot. Bonds6

About 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid

2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 106107966) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID106107966
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Name2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCOC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)O
InChIInChI=1S/C11H20N2O6S/c1-19-9(11(15)16)7-12-10(14)8-3-5-13(6-4-8)20(2,17)18/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyJGGNHCVGPXJJEE-UHFFFAOYSA-N
XLogP-1.13
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
2-benzyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 119233765
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
1-methylsulfonyl-N-[(2S)-2-phenylbutyl]piperidine-4-carboxamide
CID 30016105
2,2-dimethyl-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 81367181
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
1-methylsulfonyl-N-(2-phenyl-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110357434
N-(2-amino-2-ethylbutyl)-1-methylsulfonylpiperidine-4-carboxamide;hydrochloride
CID 119642002
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90613388
N-[2-(3-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 47036190
1-methylsulfonyl-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 7255930

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid (CID 106107966) is 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid is COC(CNC(=O)C1CCN(S(C)(=O)=O)CC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is JGGNHCVGPXJJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-19-9(11(15)16)7-12-10(14)8-3-5-13(6-4-8)20(2,17)18/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 308.36 g/mol, XLogP of -1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(1-methylsulfonylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106107966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).