2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid

C15H21N3O5S — CID 120525861

IUPAC2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)O
InChIInChI=1S/C15H21N3O5S/c1-11(15(20)21)9-17-14(19)12-4-7-18(8-5-12)24(22,23)13-3-2-6-16-10-13/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeySHBILRMYARKUND-UHFFFAOYSA-N
MW355.42 g/mol
LogP0.32
Rot. Bonds6

About 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid

2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 120525861) has the molecular formula C15H21N3O5S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID120525861
Molecular FormulaC15H21N3O5S
Molecular Weight355.42 g/mol
Exact Mass355.12
IUPAC Name2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)O
InChIInChI=1S/C15H21N3O5S/c1-11(15(20)21)9-17-14(19)12-4-7-18(8-5-12)24(22,23)13-3-2-6-16-10-13/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,17,19)(H,20,21)
InChIKeySHBILRMYARKUND-UHFFFAOYSA-N
XLogP0.32
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-pentan-2-yl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46407164
N-(3,3-diphenylpropyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892157
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
3-[[1-(2-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-2-methylpropanoic acid
CID 119237158
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 129377016
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-[(4-methylphenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071749
N-[(4-chlorophenyl)-phenylmethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43071922
N-cycloheptyl-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 4137817
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid (CID 120525861) is 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid is CC(CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is SHBILRMYARKUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5S/c1-11(15(20)21)9-17-14(19)12-4-7-18(8-5-12)24(22,23)13-3-2-6-16-10-13/h2-3,6,10-12H,4-5,7-9H2,1H3,(H,17,19)(H,20,21).
What are the key properties of 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid?
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 355.42 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 120525861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).