2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid

C17H32N2O5S — CID 155964637

IUPAC2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C17H32N2O5S/c1-5-10-25(23,24)19-9-7-6-8-14(19)15(20)18-12-17(4,16(21)22)11-13(2)3/h13-14H,5-12H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyCYJRVRWCGBRMJX-UHFFFAOYSA-N
MW376.52 g/mol
LogP1.83
Rot. Bonds9

About 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid

2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid (PubChem CID 155964637) has the molecular formula C17H32N2O5S and a molecular weight of 376.52 g/mol. Its IUPAC name is 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
PubChem CID155964637
Molecular FormulaC17H32N2O5S
Molecular Weight376.52 g/mol
Exact Mass376.20
IUPAC Name2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid
SMILESCCCS(=O)(=O)N1CCCCC1C(=O)NCC(C)(CC(C)C)C(=O)O
InChIInChI=1S/C17H32N2O5S/c1-5-10-25(23,24)19-9-7-6-8-14(19)15(20)18-12-17(4,16(21)22)11-13(2)3/h13-14H,5-12H2,1-4H3,(H,18,20)(H,21,22)
InChIKeyCYJRVRWCGBRMJX-UHFFFAOYSA-N
XLogP1.83
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 66171979
(2S)-2-hydroxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 107833370
ethyl 2-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]acetate
CID 60811787
N-(3-hydroxy-2-methylpropyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 65036791
N-(3-aminobutyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119496331
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 119383139
4-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]butanoic acid
CID 43355013
2-methoxy-3-[(1-propylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 106107643
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-propylsulfonylpiperidine-2-carboxamide
CID 119527255
N-(2-aminoethyl)-1-propylsulfonylpyrrolidine-2-carboxamide;hydrochloride
CID 119383138
2-hydroxy-2-methyl-3-[(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 66172342
N-(6-methylheptan-2-yl)-1-propylsulfonylpyrrolidine-2-carboxamide
CID 134035793

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid (CID 155964637) is 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid is CCCS(=O)(=O)N1CCCCC1C(=O)NCC(C)(CC(C)C)C(=O)O.
What is the InChIKey of 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is CYJRVRWCGBRMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5S/c1-5-10-25(23,24)19-9-7-6-8-14(19)15(20)18-12-17(4,16(21)22)11-13(2)3/h13-14H,5-12H2,1-4H3,(H,18,20)(H,21,22).
What are the key properties of 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid?
2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 376.52 g/mol, XLogP of 1.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 155964637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).