2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid

C15H28N2O6S — CID 120702923

IUPAC2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(CCOC)C(=O)O)CC1
InChIInChI=1S/C15H28N2O6S/c1-3-4-11-24(21,22)17-8-5-12(6-9-17)14(18)16-13(15(19)20)7-10-23-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCVOUWWUTORFMKS-UHFFFAOYSA-N
MW364.46 g/mol
LogP0.43
Rot. Bonds10

About 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid

2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 120702923) has the molecular formula C15H28N2O6S and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID120702923
Molecular FormulaC15H28N2O6S
Molecular Weight364.46 g/mol
Exact Mass364.17
IUPAC Name2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
SMILESCCCCS(=O)(=O)N1CCC(C(=O)NC(CCOC)C(=O)O)CC1
InChIInChI=1S/C15H28N2O6S/c1-3-4-11-24(21,22)17-8-5-12(6-9-17)14(18)16-13(15(19)20)7-10-23-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyCVOUWWUTORFMKS-UHFFFAOYSA-N
XLogP0.43
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic 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

2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 43357542
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 120703250
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1-butylsulfonylpiperidine-4-carboxamide
CID 55765140
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
1-butylsulfonyl-N-[3-(methylamino)propyl]piperidine-4-carboxamide;hydrochloride
CID 119430937
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
1-butylsulfonyl-N-[1-(dimethylamino)-4-methylpentan-2-yl]piperidine-4-carboxamide
CID 60559363
2-[[1-(benzenesulfonyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703129

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid (CID 120702923) is 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid is CCCCS(=O)(=O)N1CCC(C(=O)NC(CCOC)C(=O)O)CC1.
What is the InChIKey of 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is CVOUWWUTORFMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6S/c1-3-4-11-24(21,22)17-8-5-12(6-9-17)14(18)16-13(15(19)20)7-10-23-2/h12-13H,3-11H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid?
2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 364.46 g/mol, XLogP of 0.43, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 120702923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).