2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid

C11H20N2O5S — CID 79555425

IUPAC2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)(CNC(=O)N1CC(CC(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C11H20N2O5S/c1-11(2,19(3,17)18)7-12-10(16)13-5-8(6-13)4-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLWPBAQVWDJCBNK-UHFFFAOYSA-N
MW292.36 g/mol
LogP-0.07
Rot. Bonds5

About 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid

2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid (PubChem CID 79555425) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
PubChem CID79555425
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid
SMILESCC(C)(CNC(=O)N1CC(CC(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C11H20N2O5S/c1-11(2,19(3,17)18)7-12-10(16)13-5-8(6-13)4-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyLWPBAQVWDJCBNK-UHFFFAOYSA-N
XLogP-0.07
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidine-3-carboxylic acid
CID 79557763
N-(2-methyl-2-methylsulfonylpropyl)piperidine-1-carboxamide
CID 115675126
2-[1-[(2-amino-2-oxoethyl)carbamoyl]azetidin-3-yl]acetic acid
CID 64618398
2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
CID 64605399
2-[1-(3,3-dimethylbutan-2-ylcarbamoyl)azetidin-3-yl]acetic acid
CID 104829196
2-[1-(2-cyclopentylethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64618033
2-[4-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]thiomorpholin-3-yl]acetic acid
CID 79558482
2-[1-(cyclobutylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 64616008
2-[1-(hexylcarbamoyl)azetidin-3-yl]acetic acid
CID 64617301
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-[[2-(dimethylamino)-2-methylpropyl]carbamoyl]piperidin-3-yl]acetic acid
CID 62677015
2-[1-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 106097982

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid (CID 79555425) is 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid is CC(C)(CNC(=O)N1CC(CC(=O)O)C1)S(C)(=O)=O.
What is the InChIKey of 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid?
The InChIKey is LWPBAQVWDJCBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5S/c1-11(2,19(3,17)18)7-12-10(16)13-5-8(6-13)4-9(14)15/h8H,4-7H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid?
2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid has a molecular weight of 292.36 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methyl-2-methylsulfonylpropyl)carbamoyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 79555425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).