2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid

C8H13NO3S — CID 64603746

IUPAC2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
SMILESCSCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H13NO3S/c1-13-5-7(10)9-3-6(4-9)2-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyNTOIGEAHKVZDOC-UHFFFAOYSA-N
MW203.26 g/mol
LogP0.28
Rot. Bonds4

About 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid

2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid (PubChem CID 64603746) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
PubChem CID64603746
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid
SMILESCSCC(=O)N1CC(CC(=O)O)C1
InChIInChI=1S/C8H13NO3S/c1-13-5-7(10)9-3-6(4-9)2-8(11)12/h6H,2-5H2,1H3,(H,11,12)
InChIKeyNTOIGEAHKVZDOC-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(4-methylphenyl)sulfanylacetyl]azetidin-3-yl]acetic acid
CID 64603572
1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylsulfanylethanone
CID 106671457
2-[1-(2-methylsulfonylacetyl)azetidin-3-yl]acetic acid
CID 64605399
2-[1-[2-(ethylamino)acetyl]azetidin-3-yl]acetic acid
CID 64605625
2-[1-(4-methylpentanoyl)azetidin-3-yl]acetic acid
CID 64605561
2-[1-(4-ethoxy-4-oxobutanoyl)azetidin-3-yl]acetic acid
CID 64605378
1-(aziridin-1-yl)-2-methylsulfanylethanone
CID 130677613
2-[1-[2-(2,4-difluorophenyl)sulfanylacetyl]azetidin-3-yl]acetic acid
CID 64604599
2-[1-[methyl(1-methylsulfanylbutan-2-yl)carbamoyl]azetidin-3-yl]acetic acid
CID 112662795
2-[1-(4-amino-3-methoxybutanoyl)azetidin-3-yl]acetic acid
CID 103156000
2-[1-(3,4-dihydroxypyrrolidine-1-carbonyl)azetidin-3-yl]acetic acid
CID 106670818
2-[1-(4-methylbenzoyl)azetidin-3-yl]acetic acid
CID 64603311

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid (CID 64603746) is 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid is CSCC(=O)N1CC(CC(=O)O)C1.
What is the InChIKey of 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid?
The InChIKey is NTOIGEAHKVZDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-13-5-7(10)9-3-6(4-9)2-8(11)12/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid?
2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid has a molecular weight of 203.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylsulfanylacetyl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 64603746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).