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

C10H18N2O5S — CID 79557763

IUPAC1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
SMILESCC(C)(CNC(=O)N1CC(C(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O5S/c1-10(2,18(3,16)17)6-11-9(15)12-4-7(5-12)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyCHZFAGGBPDPMDO-UHFFFAOYSA-N
MW278.33 g/mol
LogP-0.46
Rot. Bonds4

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

1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid (PubChem CID 79557763) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
PubChem CID79557763
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
SMILESCC(C)(CNC(=O)N1CC(C(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C10H18N2O5S/c1-10(2,18(3,16)17)6-11-9(15)12-4-7(5-12)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyCHZFAGGBPDPMDO-UHFFFAOYSA-N
XLogP-0.46
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
CID 115675126
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
CID 79555425
5-methyl-1-(2,2,3,3-tetramethylbutylcarbamoyl)piperidine-3-carboxylic acid
CID 122123942
1-[(3-cyano-2,2-dimethylpropyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122124130
2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 79558305
3-ethyl-1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79559362
1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031585
4-methyl-2-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114391167
1-[(2-cyclobutyl-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 122016418
(3S)-1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidine-3-carboxylic acid
CID 81126024
(3S)-1-[(2-methyl-2-methylsulfanylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 104864513
3-[(3,5-dimethylpiperidine-1-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174638

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid?
The IUPAC name of 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid (CID 79557763) is 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid is CC(C)(CNC(=O)N1CC(C(=O)O)C1)S(C)(=O)=O.
What is the InChIKey of 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid?
The InChIKey is CHZFAGGBPDPMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5S/c1-10(2,18(3,16)17)6-11-9(15)12-4-7(5-12)8(13)14/h7H,4-6H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid?
1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid has a molecular weight of 278.33 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid is sourced from PubChem (CID 79557763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).