1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

C12H20N2O5S — CID 81362844

IUPAC1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCCC1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O5S/c1-20(18,19)14-7-2-4-9(14)10(15)13-8-12(11(16)17)5-3-6-12/h9H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyYITOOKNIKDQIGB-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.22
Rot. Bonds5

About 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid

1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 81362844) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID81362844
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)N1CCCC1C(=O)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H20N2O5S/c1-20(18,19)14-7-2-4-9(14)10(15)13-8-12(11(16)17)5-3-6-12/h9H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyYITOOKNIKDQIGB-UHFFFAOYSA-N
XLogP-0.22
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544637
1-[[(1-methylsulfonylpiperidine-3-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81369622
N-(1-adamantylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17449841
4-[[(1-butylsulfonylpyrrolidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120542866
N-(cyclopropylmethyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 47158071
4-[[[1-(benzenesulfonyl)pyrrolidine-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120543040
4-[[(1-propylsulfonylpiperidine-2-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120541873
2,2-dimethyl-3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 81368766
2,2-dimethyl-3-[[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]propanoic acid
CID 124585096
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55745993
N-(3-methyl-2-propan-2-ylbutyl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 102915113
1-[[(2-methylpiperidin-1-yl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445369

Frequently Asked Questions

What is the IUPAC name of 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid (CID 81362844) is 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is CS(=O)(=O)N1CCCC1C(=O)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is YITOOKNIKDQIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c1-20(18,19)14-7-2-4-9(14)10(15)13-8-12(11(16)17)5-3-6-12/h9H,2-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid?
1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 304.37 g/mol, XLogP of -0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81362844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).