1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid

C11H20N2O3S — CID 112662788

IUPAC1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCCC(CSC)N(C)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3S/c1-4-9(7-17-3)12(2)11(16)13-5-8(6-13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyJXJNPCDOBODLGM-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.20
Rot. Bonds5

About 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid

1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 112662788) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID112662788
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Name1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid
SMILESCCC(CSC)N(C)C(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C11H20N2O3S/c1-4-9(7-17-3)12(2)11(16)13-5-8(6-13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15)
InChIKeyJXJNPCDOBODLGM-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-1-carboxamide
CID 115897719
2-[1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 112662795
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 115986555
1-[2-methylpropyl(pentan-3-yl)carbamoyl]azetidine-3-carboxylic acid
CID 79491050
N-methyl-N-(1-methylsulfanylbutan-2-yl)cyclopropanecarboxamide
CID 112551625
4-methyl-1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]piperidine-2-carboxylic acid
CID 114425868
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115986528
2-[methyl(1-methylsulfanylbutan-2-yl)amino]-2-oxoacetic acid
CID 112663253
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
(3S)-1-[butan-2-yl(methyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126152
2-[methyl-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]amino]propanoic acid
CID 112662748
1-[methyl(1-methylsulfanylbutan-2-yl)sulfamoyl]piperidine-4-carboxylic acid
CID 115985522

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid (CID 112662788) is 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid is CCC(CSC)N(C)C(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is JXJNPCDOBODLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-4-9(7-17-3)12(2)11(16)13-5-8(6-13)10(14)15/h8-9H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid?
1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 260.36 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 112662788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).