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

C11H20N2O6S — CID 43423256

IUPACmethyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C11H20N2O6S/c1-19-11(16)8(7-14)12-10(15)9-5-3-4-6-13(9)20(2,17)18/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyLJLZRXGRSDWJIT-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.55
Rot. Bonds5

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

methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate (PubChem CID 43423256) has the molecular formula C11H20N2O6S and a molecular weight of 308.36 g/mol. Its IUPAC name is methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
PubChem CID43423256
Molecular FormulaC11H20N2O6S
Molecular Weight308.36 g/mol
Exact Mass308.10
IUPAC Namemethyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate
SMILESCOC(=O)C(CO)NC(=O)C1CCCCN1S(C)(=O)=O
InChIInChI=1S/C11H20N2O6S/c1-19-11(16)8(7-14)12-10(15)9-5-3-4-6-13(9)20(2,17)18/h8-9,14H,3-7H2,1-2H3,(H,12,15)
InChIKeyLJLZRXGRSDWJIT-UHFFFAOYSA-N
XLogP-1.55
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-1-methylsulfonylpiperidine-2-carboxamide
CID 65309919
methyl 3-methyl-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]butanoate
CID 43423217
N-(2-methylpropoxy)-1-methylsulfonylpiperidine-2-carboxamide
CID 115410256
(2R)-N-[(2R)-1-methoxypropan-2-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 95129913
1-methylsulfonyl-N-pentan-3-ylpyrrolidine-2-carboxamide
CID 134050674
2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 62676219
1-methylsulfonyl-N-propan-2-yloxypyrrolidine-2-carboxamide
CID 154860289
(2S)-N-(3-methoxypropyl)-1-methylsulfonylpiperidine-2-carboxamide
CID 94106905
methyl 3-hydroxy-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoate
CID 43623563
tert-butyl (2R)-2-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoate
CID 81000032
1-methylsulfonylpiperidine-2-carboxamide
CID 43236894
(2R)-N-cyclohexyl-1-methylsulfonylpiperidine-2-carboxamide
CID 31407568

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate (CID 43423256) is methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate is COC(=O)C(CO)NC(=O)C1CCCCN1S(C)(=O)=O.
What is the InChIKey of methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate?
The InChIKey is LJLZRXGRSDWJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6S/c1-19-11(16)8(7-14)12-10(15)9-5-3-4-6-13(9)20(2,17)18/h8-9,14H,3-7H2,1-2H3,(H,12,15).
What are the key properties of methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate?
methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate has a molecular weight of 308.36 g/mol, XLogP of -1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoate is sourced from PubChem (CID 43423256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).